Datasets:

alxfgh

/

Text2Mol

like 0

3-hydroxypropanoyl-CoA is a 3-hydroxy fatty acyl-CoA. It has a role as a mouse metabolite. It derives from a propionyl-CoA and a 3-hydroxypropionic acid. It is a conjugate acid of a 3-hydroxypropanoyl-CoA(4-).

4.760645 20.573454 4.6083713 -5.656302 6.5759583 -24.1352 -2.1479702 14.449983 6.611915 13.0333605 13.645142 -13.175211 -2.1324306 9.409242 5.985625 -7.9279985 8.221046 -1.7519667 -32.532013 14.989498 -19.12993 -17.738577 -19.778822 -14.971732 -15.981611 6.319865 4.392015 16.809044 -6.580952 -13.895036 -0.2653037 0.26319882 3.9723797 15.574888 18.873772 7.042922 4.178322 18.031082 0.48642844 2.4108012 -12.763836 2.0029364 -4.702741 -7.6809106 -18.760931 0.39863965 7.733251 0.76658964 -2.0169754 10.427135 18.871012 -0.9371435 11.552893 10.513313 17.701958 -4.2581496 2.6621964 -0.37105784 -8.332148 -13.29321 4.4132857 -11.193271 12.0545635 15.370465 -6.2948866 -1.3790841 6.0130053 1.7638513 4.933429 4.1927557 0.8420682 8.638638 -20.49582 8.713066 -0.7463399 2.1271572 -17.907099 9.659014 5.165252 5.99745 -7.6956897 -9.876588 -1.3075097 7.959318 1.9972649 -2.2546833 12.207086 6.7773137 15.546171 -9.887761 -5.0907845 -2.4943354 7.132492 4.11624 -5.9789433 -0.6722469 14.4327545 -2.44929 5.254836 2.347413 9.777043 8.683103 -12.124574 -2.0946174 -0.24482255 -2.8569424 1.4861131 0.54791117 7.381996 20.939722 -17.57738 -4.8440022 -11.194913 -2.9257245 13.898555 -3.3374398 -2.842901 1.8333755 11.89995 13.182257 16.127865 -0.9846064 -25.527533 -0.2905717 10.519844 -19.99275 28.276407 13.966211 -4.6321096 20.264006 12.075151 1.6669405 -17.93942 19.28886 27.039068 1.0308869 7.325701 0.092934966 27.346266 17.058756 -1.75911 -5.1667485 4.930778 16.640984 27.139988 -21.899487 -7.364395 25.846107 -23.92918 4.946137 16.984102 0.23690318 -23.518091 4.1727967 -7.519684 6.1706114 20.603786 20.488207 23.965399 -12.297664 -14.507014 0.50919867 -22.388456 -9.2887745 8.065556 -11.289336 31.018127 10.99723 -15.505023 -2.3371832 6.953654 11.141851 13.055869 -6.844259 1.3208886 -6.3884587 24.139172 9.751893 -1.7747682 -3.2756717 1.218097 -3.5603328 -7.0685306 -1.4306731 15.102837 1.4468229 -1.0192562 -4.3985987 2.1140246 -2.6894028 16.102629 11.05771 3.869943 -4.3222766 -5.031076 8.221605 2.994375 -3.5689275 -3.1181927 -2.1878905 -7.7832613 -10.664881 12.810288 16.878456 2.9552653 3.7054431 2.0302596 -3.5323777 11.697187 13.466039 5.236282 5.0444903 -0.44945496 3.590129 1.2268016 12.273116 -6.133842 8.929987 12.712228 -1.4816253 -3.5639517 -9.035287 -7.9924107 8.957165 -15.2922 -10.673862 -5.780096 2.9338744 2.2885742 -2.8982673 -0.26976913 12.005031 -7.0666804 -4.8002086 -1.3650807 1.9733931 17.348133 -3.4544117 -3.6909661 -5.1598 6.143499 0.19157188 -2.0703557 -5.123804 12.532138 -2.706642 1.1304452 -8.923142 -3.5836082 -1.7782221 14.620012 8.1220875 5.2914 0.82989895 -2.0608592 7.8790755 4.394603 -20.682407 -5.526107 -2.6858423 -3.6519303 -9.926134 -4.486052 -2.002737 6.33393 -3.9760554 9.592868 3.250963 8.677283 -6.8338537 -0.09856181 6.755488 13.127328 -2.5268576 23.093142 6.3932543 -3.3494854 -13.559348 -0.7988064 2.5770316 1.6252489 -6.1508884 -7.3915777 0.33429128 12.609368 -11.3095875 -0.46224114 -6.4747663 9.638856 -5.294175 13.7079735 -4.875959 15.273063 -5.8877134 2.5104942 -17.716248 -2.7059083 8.330778 7.392907 7.507914

1-palmitylglycerone 3-phosphate is a 1-alkylglycerone 3-phosphate in which the alkyl group is specified as palmityl (hexadecyl). It is a conjugate acid of a 1-palmitylglycerone 3-phosphate(2-).

3.6839254 5.6202755 1.2961435 -5.660732 3.274298 -5.600356 -0.8057842 6.7816854 -4.180652 4.5342793 7.033933 -8.81811 0.48528963 -2.0437007 -1.9162531 -3.542519 -0.49491802 5.0096426 -10.971725 1.9225712 -6.788052 -6.041723 -2.7058697 -12.272309 -4.4845695 7.4583616 0.19151631 10.035835 -6.930107 -4.904007 -0.6382385 -2.859007 0.24994014 5.9062567 6.8782964 6.668748 -3.8077412 15.247814 -3.832386 6.0626206 -4.4700937 -6.2449784 -1.1338521 -3.2036479 -10.599559 0.28912422 -0.12733872 0.61381865 -0.9372605 5.440373 7.7290063 2.6110914 5.5204797 5.4797816 5.9842577 -7.116099 0.7458649 -2.075816 -1.4295213 -4.3261533 -1.6934253 -10.488856 2.795943 13.542 5.3593206 1.052612 -1.3992655 -1.9112052 4.563571 -0.28134343 -0.07422404 -0.13438684 -5.772218 7.081453 -0.78155625 1.4358284 -3.122823 6.893844 0.99862707 1.829709 -5.8401766 -3.2771819 -0.1659154 4.5954046 0.19170748 -0.962914 5.20314 3.921167 14.0728655 -5.667646 0.55779314 5.701736 6.180789 -0.7475747 -0.6493328 0.06625554 4.5990844 -2.1831186 6.8703237 7.1521497 6.812181 5.3955336 -6.4025593 -2.6330442 -9.208568 3.3002598 2.1770048 -0.44177237 4.395668 11.542072 -6.332107 4.0006533 -8.396417 -0.48826587 3.2916787 -1.2655987 -1.3696223 2.2714763 4.7466464 9.395758 11.738709 3.4203172 -11.563409 -0.45506716 3.6298144 -14.856244 9.700842 10.5141535 1.4197707 7.883021 12.18066 -5.920214 -5.679899 7.6195297 9.438101 -1.501463 7.013091 3.3115513 14.531703 1.5160097 -6.0835752 2.0162225 -1.1097288 4.6912107 12.121302 -16.184221 -5.5906496 13.479026 -8.824208 3.1290355 5.471455 1.3756709 -6.766071 1.0537765 -5.6944666 5.718749 8.1532345 12.191784 15.1490755 -1.3566877 -10.221885 2.060531 -9.131478 -6.776133 7.0877857 -0.52026784 8.578624 8.11588 -6.456451 6.5526195 6.002477 9.605278 1.3712 -0.5415828 -2.9688094 -2.0354993 15.518787 5.207005 -9.546518 -11.222209 0.80388725 1.7057548 -5.3586626 0.10804927 8.266282 5.0155993 -0.25472236 0.28094834 3.684909 6.8632255 3.4258876 12.495214 -1.1739779 -1.7060387 -1.3601567 2.0512917 1.5264577 5.8274007 1.561642 0.53695863 -10.145342 -2.4463704 5.0541673 4.410843 3.7206998 -5.1934295 -0.27658463 1.8609655 0.43270254 4.089308 -3.9114447 -1.8621224 4.3859735 -8.907484 0.3118747 -0.6297023 -7.5904713 0.18928991 9.901782 -2.615921 -4.6559935 5.518321 -5.2416015 4.9638953 -16.498737 0.6860938 -4.6225796 0.31425932 -6.183216 5.118211 0.5443416 2.9507823 -6.1946077 -3.801474 -0.93174726 0.46630388 11.328514 -0.7296035 -4.9049697 0.57042474 0.25084114 -1.6667268 2.8273854 -2.0242524 4.86091 1.8322484 2.0613964 -2.399859 -1.9101014 5.822185 5.3571634 -0.9794863 -0.63771415 0.25121152 0.0912945 -2.0427434 3.5354333 -9.005309 -5.8016987 -3.4146595 1.081684 -5.9136 -0.11226508 -4.404069 7.713514 -1.3995281 1.3080022 -7.3609986 5.034318 -4.840272 -4.473948 -1.982314 3.6925273 -1.0991403 4.2657976 11.970917 -5.4830003 -8.532093 5.966012 -2.3246891 -2.85959 -3.5925772 -5.418858 -3.2181172 7.808527 1.047703 3.600401 -1.417802 6.127141 3.8996453 7.245885 0.5632056 6.1335077 -0.7652673 4.495478 -7.07659 3.1876667 1.8234453 5.077558 7.293311

Vomifoliol is a fenchane monoterpenoid that is 3,5,5-trimethylcyclohex-2-en-1-one substituted by a hydroxy and a (1E)-3-hydroxybut-1-en-1-yl group at position 4. It has a role as a plant metabolite.

1.7465479 5.907965 -2.4921417 -2.5514596 -5.174067 -2.5742912 -3.8301904 -0.13277784 -1.1704415 4.159288 8.00664 -5.0206614 1.3042136 8.799914 2.8654997 -1.7777818 6.4732475 -0.6458111 -9.428533 2.7251468 -0.91565454 -7.5714025 -3.231261 0.37599236 -4.511721 0.13455012 0.2193819 7.974908 -1.4387381 -5.196223 -0.080017 -1.3856295 -1.5651231 4.578224 6.1324887 4.0926785 -0.5627516 2.304693 -2.5867248 0.2586275 -0.95124865 0.9721228 4.6604066 -4.604508 -1.9436584 0.13679507 1.0313032 -1.7211244 -1.005371 1.1453371 5.219079 -2.3868122 1.6762666 1.8753648 0.12672216 4.370561 -0.82864267 1.9696229 -0.8324256 -1.706732 3.361555 -2.9875968 -2.431409 6.216492 -2.156362 -1.2111099 3.2258654 5.088571 -1.1659551 -2.9738994 0.0763959 1.2552412 -5.634456 -0.764226 1.8045061 -0.27414167 -1.3941032 5.6001644 3.495048 4.617471 -1.0073007 -0.3962635 0.33878252 5.899267 0.0906599 -3.3206332 -0.02463853 -3.3013237 7.365681 -3.94587 0.21325937 -0.82471126 0.121228404 -0.17367832 -2.0194886 5.411045 0.49679446 2.947708 -4.048542 -0.0045890957 1.3296977 -7.1500854 -4.296512 -1.0303613 2.6538472 1.6284175 -2.0786788 -3.44527 -1.0128428 3.433765 -5.2452245 0.6251313 -2.3667579 -3.610167 3.3938022 -1.034807 -2.6729891 -0.98957586 1.4735824 5.055076 1.7331848 1.0088531 -0.46116072 0.78804696 4.3524203 -6.889377 4.8904147 2.6987786 -1.6971288 4.102605 1.9263184 -0.109036185 -4.629998 -1.9080666 5.2124705 1.487678 1.2352722 1.7028096 6.2257233 5.353631 -1.2365797 -0.070820384 -2.2762315 1.7480627 1.2736058 -6.281237 -5.073987 1.5250188 -1.950393 -2.8592827 -2.5836568 -2.4744298 -7.7733645 2.491074 1.4689995 -1.5707309 0.16682732 3.1460938 2.1253278 -3.833535 -0.35768318 3.740004 -1.2508963 -2.3664272 -1.3164538 1.3279597 4.464056 2.3863132 -3.303224 -2.0794818 -0.5446888 5.5126104 -0.254566 -0.16557485 -1.9614263 -1.8184752 2.1056128 3.1325977 -1.3061502 0.70762014 -1.4623005 0.99270594 -7.2847786 -0.8216047 1.4095293 0.17512299 -7.551665 3.8050075 0.19682935 1.2969155 4.4851584 3.9413824 1.6719424 -4.5709934 3.335208 0.1808122 5.785 -1.8122083 1.2026815 0.8583914 1.7893817 0.27468872 1.0081365 2.7060354 1.0920392 1.6836927 2.944996 -2.8568223 4.472105 1.0684052 1.2381855 2.349252 0.44924337 -3.5468943 2.904088 -1.1032193 0.20045525 -0.0153125 0.40120915 1.5891922 1.6109685 -1.7805914 -1.1906354 -0.22038858 -2.6776516 -1.7355266 1.1002293 0.23095149 0.65684175 1.0905151 1.7545577 3.068819 1.8270806 -4.2843127 2.3267956 -0.8882977 -0.23569125 -2.243586 -2.1697114 -7.2545576 -2.6958117 0.87465787 -2.5723307 0.38556653 -2.2591772 -1.523727 -1.4453359 1.7811215 -2.5404987 -1.0064112 2.1908913 1.1491829 -1.1708142 1.1747797 -0.14445922 -0.015815563 3.4350858 1.9996519 1.2148783 -1.0134054 -1.9461013 -1.4640422 -4.6611714 1.2671702 -2.3822994 0.23882416 4.3616133 -0.0053349845 1.211954 -2.4252923 1.4316207 -1.2081195 -2.3606744 5.2786593 1.2432882 0.49982855 1.0386353 5.3472867 0.95792973 -3.54225 -7.3785896 0.5265689 -1.2855108 3.633192 1.9780629 -0.088401794 -4.8195415 2.445871 4.666588 3.2167635 1.8677223 0.4644765 6.202378 0.50508666 -2.655015 -4.6992927 1.4025974 0.27933002 0.61335504 2.557582

Sesaminol 2-O-beta-D-gentiobioside is a disaccharide derivative that is sesaminol in which the hydroxy group at position 5 has been substituted by a 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside group. It is a metabolite found in sesame seeds. It has a role as a plant metabolite. It is a gentiobioside, a disaccharide derivative, a furofuran and a member of benzodioxoles. It derives from a sesaminol.

-2.7927535 9.420207 1.213438 -0.51653683 0.97803825 -26.477127 -7.6958823 0.18566814 12.365658 5.7174845 5.916138 -12.556204 -9.91247 19.27134 10.507015 1.1408218 9.767706 -5.5658417 -33.486748 16.856245 -6.9796686 -19.385857 -16.63962 -9.745693 -12.130133 3.3265982 -3.211634 17.247492 3.8937714 -5.5937843 9.976403 -4.9103456 10.418068 12.011334 18.850851 0.5437264 -3.9336636 12.940217 -2.395406 -8.007389 -17.961012 7.1542406 0.34119496 -1.01225 3.3482137 -9.501916 9.271798 -2.0852704 -1.2518512 25.22035 12.741865 -8.809276 15.377165 3.1650817 14.618478 3.975892 -11.72997 7.7052016 -7.0666556 -0.8591173 3.32003 -11.538556 -6.580725 12.233768 -3.5043516 -5.415616 8.229279 6.1994495 0.8875461 -8.394245 0.1638558 2.2047896 -4.1553435 5.8716073 2.776269 -8.464289 -23.988802 25.101694 7.854644 3.6590934 -6.7255187 -9.904955 -0.8634309 2.0184798 3.947591 -6.428008 9.603824 -5.0679827 20.821346 -9.887885 -2.0041633 -7.144408 -2.5423172 -0.72296906 -6.664322 -2.6323748 7.810356 2.7762308 -2.4854217 -5.021422 9.309653 -11.492736 -21.316404 -5.1807795 18.93608 9.310466 -1.3780484 -5.3573604 5.377381 6.270379 -9.483992 5.1681385 3.929674 -2.2101946 26.638073 -14.718515 -7.432622 3.8512633 16.39255 12.10982 12.8967285 4.6806903 -14.175828 -4.208976 15.3513975 -31.170172 20.62297 16.65418 -17.138054 10.166442 -2.029902 4.996744 -18.19416 13.318764 30.639393 13.197075 9.224415 -6.0416374 14.823028 19.947924 -6.8017516 0.5012918 5.1017947 8.371948 23.925108 -12.03947 -6.8652706 13.808697 -20.940683 1.5668163 12.5923195 0.48741233 -18.615679 3.902122 -1.694346 8.885219 23.490915 5.7071114 16.518309 -12.057414 -21.573668 0.12660441 -7.773144 -6.023606 10.343342 -4.0543237 35.0313 11.156134 -10.25076 -7.312597 6.2095313 12.041203 14.589552 -6.5574007 -3.160847 0.47148195 13.348079 13.948403 -6.724197 6.286303 -11.357864 3.6512418 -21.579231 -4.4667597 6.499251 -2.4271567 3.726648 -9.295335 4.008415 0.10506407 10.972639 -0.029616714 2.5556238 9.27601 -4.589167 5.793619 7.208692 -0.78470534 2.1131094 1.5886647 4.7842493 -5.209671 7.7156425 17.615665 9.632534 -1.1614319 -5.069608 -2.3797753 0.96678185 9.734816 2.0527263 -2.0936198 -6.570774 -10.339268 -0.9088113 13.161533 2.6562135 0.9529214 -1.7092746 -8.916082 5.916076 -13.399833 -9.050464 4.4147983 -6.1221075 -14.178195 -4.534535 -1.4297882 5.9585958 -1.4215045 5.299736 6.4336033 10.016309 3.2851524 -3.1389537 2.1809926 5.8740706 6.0005546 -15.7075615 -8.543119 -3.650611 -14.281379 -10.911723 1.7046335 10.548437 -0.7607326 5.6918573 -4.7188363 -8.409457 -4.3737965 6.8817763 11.805103 0.13623148 8.9136915 0.60019755 9.774453 5.2278957 -21.412203 -9.3001995 -3.0117006 -10.501248 -9.842217 -0.23902658 3.27929 -9.258131 -6.2961273 0.8639529 3.685476 7.774275 6.088881 1.462626 -5.3171453 1.4125799 8.013778 27.517162 8.246466 3.7144492 -1.3769027 3.2906187 5.9615993 -12.053325 -9.716682 -4.752578 10.567114 13.424396 -15.271294 -7.502906 -9.207611 19.992117 4.33633 2.0013726 -4.447097 26.055061 -4.1889973 9.31182 -19.901743 -1.0044928 -10.160172 7.1562657 10.504066

Alpha-L-Fucp-(1->6)-D-Galp is a glycosylgalactose consisting of an alpha-L-fucopyranose residue and a D-galactopyranose residue joined in sequence by a (1->6) glycosidic bond. It derives from an alpha-L-fucose and a D-galactopyranose.

-1.8780286 5.864353 2.8027716 0.3730064 0.6018833 -16.005062 1.673121 -1.43091 10.0709305 2.7145362 -1.6220816 -4.2347937 -8.125365 7.3499227 3.8947644 -0.37589586 4.611859 -6.3524537 -19.995186 8.351585 -4.474528 -12.841497 -7.9219136 -3.4293945 -7.9486194 2.7586029 0.8886874 4.1801987 2.064804 -4.9909587 1.5103738 -0.5208837 2.6314714 6.9414315 14.29418 -0.039859876 -3.5138028 7.2145557 1.3546416 0.04807014 -9.573426 2.6032686 -1.4943448 0.885987 -2.3163092 -0.035662442 -0.43547037 4.130833 -0.26385427 16.390244 5.109498 -2.0134497 7.466268 -0.9179684 12.22595 1.336549 -3.4301875 7.3659153 -2.3120117 -0.45249003 3.287429 -5.8276114 0.5286609 4.409051 -4.450267 -0.3492637 2.7251127 4.260938 -1.5105336 -7.153248 0.94594073 3.5046027 -7.4222546 3.9825165 1.2490478 -4.7865634 -12.361437 9.139301 -1.1823732 1.9671204 -7.034992 -5.783537 -3.5132966 2.1813655 3.2852964 -1.3364367 7.306607 1.0307574 5.110227 -3.192439 -1.326883 -1.1966021 -0.19650444 1.7586406 -0.79393995 -3.0272129 6.861545 2.8667717 0.8783556 -3.277528 6.894444 -1.2234595 -10.230634 -0.036597557 8.834905 3.6638103 -0.029892296 1.8438518 1.1954023 2.5453165 -5.8466625 4.650973 3.893086 -2.1249192 11.211451 -7.735143 -2.7898023 3.7221603 8.357834 5.2073317 7.252753 1.8653493 -8.785062 -3.4376342 3.5008593 -15.077283 11.8948345 5.849044 -10.791126 6.360143 -0.76093024 3.0991194 -8.695426 11.049928 17.226084 3.5670874 4.7294397 -2.4398284 10.683091 10.657598 -5.6721616 0.4493 2.8511267 2.0125213 16.248234 -3.7445447 -6.8446603 11.450757 -9.950245 1.5421739 7.7405906 2.685029 -7.5112076 3.0690148 -0.81994677 4.6766706 13.862985 6.2185435 14.096179 -4.5492992 -13.176399 2.145741 -5.456145 -0.5480563 4.0458307 -1.6057928 21.864447 5.9011965 -7.0378485 -0.521821 6.8461256 9.248326 5.441975 -1.369739 -2.0378957 1.6553771 8.329123 8.416758 -1.9545913 0.20321551 -8.882037 1.2100701 -8.439296 -0.47815773 0.7800101 -3.6665978 2.8000448 -6.534121 1.5388203 -1.5770358 5.398076 4.3444133 2.086072 4.857385 1.5035332 5.5851593 1.014825 1.1283069 1.6031129 1.0159105 0.9163455 -0.65278596 4.243256 9.674835 3.8966098 -0.4557137 -2.4917033 0.31499448 0.018285558 5.8148084 2.4036722 -1.4940944 -6.3980856 -2.7085285 -4.53747 6.4521327 -0.9557473 1.0528836 3.3337426 -5.676528 -1.6418087 -2.2444715 0.19832847 7.0575743 -2.539753 -8.135379 -7.644591 0.9551367 4.4400544 1.7462113 1.1128016 1.6065983 2.7735841 2.2941306 -2.9904823 0.2997536 8.903741 -0.1551632 -9.853929 -5.014752 -4.1089 -2.471636 -2.4191601 -0.27530602 7.3099356 2.2113354 1.2585849 -5.639205 -1.3190552 -2.9143257 2.5980134 2.824777 -5.3645473 5.826988 6.03319 7.756448 0.0012181103 -11.259869 -5.540495 3.8178048 -6.8595448 -3.0661774 1.4600071 0.1091378 1.1344346 -2.4293709 6.109978 2.5483112 6.4375286 -0.102439225 0.33675045 0.23344824 0.32592008 0.069133475 11.107504 11.345211 -0.6452916 -4.989713 5.2289667 4.8487215 0.7388443 -3.2961025 1.4511529 0.0510315 6.878311 -6.4507766 -5.0045896 -4.511763 9.247375 3.424759 1.7570884 -4.762217 13.741464 -1.276965 2.5250323 -10.634467 -1.3401042 -3.487356 5.3860607 2.9896762

1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)-2-propen-1-one is a member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 2' and methoxy groups at positions 2, 3, 4, 6, 3', 4', 5' and 6'. It is a member of chalcones, a member of methoxybenzenes and a member of phenols. It derives from a trans-chalcone.

-5.8092637 1.7354722 -0.3499241 -1.9294894 -3.2723708 -9.135971 -8.622806 -6.826503 0.38615102 0.04659131 18.451744 -14.038544 1.2466704 24.20553 10.609146 1.0707108 8.080145 -0.97822034 -19.643969 14.007062 0.5875994 -5.8162017 3.8416145 -6.979913 -6.720146 -3.152605 -1.2220669 17.105263 -2.0361457 -1.1367365 7.1296635 -3.295992 6.2591 8.816065 5.592686 7.8454723 0.31109515 2.9210663 3.732855 -3.853033 2.06803 7.442582 -7.3935156 -12.131022 8.89024 -12.195118 8.343876 -13.126801 7.952355 6.2060933 8.056221 -6.500457 4.7657332 7.0569353 1.6639068 4.859296 -5.9455953 -2.187464 -7.189662 -6.568868 -5.9923835 -3.5614374 -7.2210407 11.498072 1.2664547 -9.185995 3.6167867 0.52348596 3.5876532 5.7233567 4.106595 -1.9907297 -4.0100484 3.1676977 -3.7570972 -3.775347 -15.443242 18.315075 11.16819 14.053235 -5.6487103 -8.029723 -3.3625736 0.67299455 4.761763 -2.5922914 -10.1871805 -8.273677 18.761326 -2.590469 -7.5752373 -3.7065585 6.717074 0.8510276 6.251215 5.312654 6.159007 0.6956588 1.7961284 -1.700708 4.70755 -13.800332 -8.9745655 -6.297939 -1.0021327 8.2790785 0.902939 -14.590482 4.6697617 3.0778863 -4.4873495 -2.892351 -11.709567 -1.9147365 8.3891735 -2.3960023 0.64782816 1.8011968 1.860581 3.1159065 9.172335 0.23845914 -0.5908034 0.58931404 10.449164 -15.003435 12.024721 3.7346077 -12.926568 4.6324635 4.316469 0.79743636 -15.371346 6.1739197 13.4107 5.7631984 0.3886698 0.12057346 7.131527 10.36984 -7.4626865 -1.8177124 -8.746722 2.8118758 11.927376 -14.670614 -3.6403153 0.9740108 -5.0450225 3.045243 6.3078494 -0.8170835 -18.701122 6.6727157 -3.5450304 7.7596493 8.680963 1.0897663 7.3877845 -10.562829 -13.774122 2.7334526 -1.3793881 -3.0569518 16.362152 -6.289144 12.895277 15.678216 -6.626481 -2.7691522 7.0761 7.065852 5.2671204 -0.96253026 3.1949 -2.2950034 7.3160825 7.342305 -6.5340767 -1.2731041 5.3068743 -0.23413157 -7.877243 -6.33334 6.5694146 -7.506504 -10.9116335 5.5159926 1.3504777 3.7050037 -0.3294218 -1.2059367 5.150263 -2.3351173 -2.028902 0.945135 4.024358 -9.247317 2.7556245 -0.60890394 4.431125 -2.124599 4.9320927 4.2460113 0.6275322 -2.2810953 -3.665475 -0.13610464 5.0565963 3.7166233 -5.9838285 4.624005 0.63932186 -3.616481 5.3885016 1.5806495 -0.05299844 8.068119 1.6383151 -0.11124292 7.278368 -7.202696 -7.057334 3.1049764 -9.842209 -3.1819015 10.995601 -1.4928396 1.3940247 -3.5757027 6.7957544 13.700844 -2.641522 -6.504369 0.47654185 1.376607 -3.3323207 -1.9415869 -3.845504 -2.627673 -1.0164673 -3.0486157 -0.80293393 -4.4409266 4.292384 0.9992157 4.1164455 -0.9161124 -1.365295 0.9609643 -5.676826 5.073228 10.139501 -1.4773403 -3.9360678 -4.2282834 0.21022733 -8.018628 3.2715733 -5.0039835 -3.9206212 -9.360218 -6.3425665 4.3095183 -4.7706633 1.9993242 -2.8479636 3.0581193 -0.48795262 4.444911 4.034489 -7.8954873 3.8676412 10.557346 10.343851 -2.2451496 8.207153 6.821053 7.4809074 -2.4993577 -17.138584 -4.4666834 -16.002857 10.734851 9.829078 -5.1161013 9.597266 1.5814767 5.454311 -1.5157813 2.7506754 1.5981269 11.72251 -5.8370314 2.6545417 -5.0544133 -3.9937315 -0.5517019 3.6132364 11.277999

Veratryl glycerol is a trial that is glycerol substituted by a 3,4-dimethoxyphenyl group at position 1. It is a dimethoxybenzene and a triol. It derives from a glycerol.

-4.1122603 3.9686134 1.141261 -1.9737248 -1.4942704 -6.0968685 -5.4144015 -1.4515618 -2.0349202 0.8392992 6.433758 -6.607993 -0.40371114 7.7113876 3.0514038 0.51589805 0.25474146 -0.35174644 -9.771695 5.522584 -2.950423 -2.5552404 0.63183 -4.6292105 -1.9030427 0.5709733 -1.094571 5.794253 -1.17385 -2.9589472 2.7376828 -3.0681114 1.1118894 3.4576023 1.8987744 4.0635657 -1.0898206 2.9574745 -1.1197965 -0.37851676 -1.9356335 1.8391091 -1.5945811 -3.8075597 0.7338688 -3.859876 3.673192 -1.7201631 0.40860832 4.7703676 4.715825 -0.9742813 2.3025174 1.4704341 0.668427 0.46618542 0.087117285 0.12862505 -2.928431 -2.1951976 -2.7526755 -2.5874152 -0.073396 5.072349 0.22787291 -2.3910983 2.0427325 -0.46950752 -0.58477277 1.735341 0.56162024 2.721464 -0.80867493 1.639212 -2.1705573 -0.28460634 -4.745161 6.5642986 3.664543 4.973988 -1.7115322 -3.6418257 0.1957162 0.29392374 1.9008598 -2.7731314 0.5242331 -1.0683255 8.790839 -0.81951076 -2.0514526 -4.640228 0.64392525 0.63877714 3.0583043 3.7183928 0.9079792 1.2130417 -2.1238947 -0.39186075 1.3494565 -3.1982758 -4.651496 -4.12206 1.9099076 0.8023896 -1.291431 -1.8947909 1.3720058 1.5512731 -2.4754117 -3.7884097 -4.392041 -1.6285105 5.4582734 -1.937958 -0.49786162 1.6020795 1.051497 1.9856966 2.4785602 1.2942176 -4.284434 0.17681786 4.1663485 -5.475364 4.4300594 5.3677435 -3.6967235 1.2765237 2.2839203 1.7787127 -5.854726 1.8663183 5.995368 1.238947 -1.754514 -1.2169042 4.87589 2.409981 -4.2845426 -0.6110512 -0.76962906 2.0831816 7.834475 -6.612186 -0.96602565 1.525285 -2.991205 2.677049 4.029476 -1.2524052 -9.3840275 2.5718434 -0.25011212 3.1009743 4.6569715 1.5590572 3.7867632 -4.7887692 -3.860606 -0.46975976 -1.8109578 -2.1500168 5.4789834 -1.3289646 7.475055 2.9286063 -1.5603621 0.42767066 1.5075943 2.7226508 3.0550065 -1.9490043 0.6399046 -0.49513653 5.6268444 4.3994837 -4.483709 -2.7039716 1.0486313 -0.88393205 -4.7868786 -0.32357413 3.5915608 -1.1758854 -2.4939802 1.8142294 2.0784419 1.7687725 1.7683399 0.30292124 0.81939 -1.6267787 -1.1812592 1.1620337 2.336172 -0.95030767 0.3984573 -0.7722369 2.2692745 -1.0400578 3.4098988 2.4558601 3.258092 -0.20044088 -2.4028049 -0.43411046 2.7396908 2.1567001 0.9087349 1.7499547 -0.14904594 0.29903328 1.0685506 2.0831673 -1.8049695 3.94959 1.9663875 -2.2243822 2.7568262 -3.9784908 -2.0773869 1.4959631 -6.041599 -1.506072 2.7908068 0.5196265 -1.4608115 -0.078583926 2.1791117 6.1707296 -0.6576873 -2.0541213 0.913038 -1.037121 -0.66775936 1.1407595 -2.621935 -1.4511656 -0.006138347 -2.4734688 0.0131263435 -1.5314927 3.5285044 0.11087093 -0.23162147 -0.9689397 -2.3514078 2.0373828 1.1151217 3.624661 3.5004795 1.4497387 -1.6833677 -1.7487998 1.0759532 -3.4455829 -0.20939693 -0.9367099 -1.2472806 -3.5729685 -1.684765 2.3617082 -2.1381161 0.37250686 -0.6720481 0.7498774 1.9618219 0.5067246 2.065121 -2.5310588 -1.9724518 2.3684428 8.329733 0.7453659 1.6675818 0.845941 2.2247396 0.18803701 -5.400348 -2.8960989 -4.36949 4.558773 6.635932 -2.0699987 2.0294173 0.8655603 4.9879503 -0.48431984 1.6087873 0.08406533 7.2885094 -5.313964 1.0755473 -4.607425 -2.6799097 -0.638885 2.1648521 4.5075603

(1R,2S,3S,4S)-4-formyl-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexyl (2E)-3-(4-methoxyphenyl)acrylate is an enoate ester obtained by formal condensation of the hydroxy function of (1R,2S,3S,4S)-4-formyl-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexanol with the carboxy group of 4-methoxycinnamic acid. It has a role as an angiogenesis inhibitor. It is an enoate ester and an aldehyde. It derives from a fumagalone, a (1S,2S,3S)-3-methoxy-2-[(2E)-6-methylhept-2-en-2-yl]-4-oxocyclohexanecarbaldehyde and a 4-methoxycinnamic acid.

2.1166613 6.6327 -1.7169921 -5.329485 -3.7121482 -9.700367 -6.8154707 0.76222265 -3.250955 5.7691407 9.943428 -7.9814086 3.4701786 10.450611 3.8685765 -2.1400645 6.189647 -1.1372491 -13.696735 7.5874662 -5.1801963 -5.384093 -3.008497 -8.933545 -8.023 -1.8952105 3.403973 17.814013 -3.3519027 -5.054739 1.3869618 -0.7869084 0.07367171 6.8338733 11.916524 3.7517824 1.2021337 5.1082697 -1.1855903 0.3208315 -0.85036385 4.1533766 1.6984699 -4.758325 -2.5189273 -5.0149055 4.4408717 -3.169979 0.11579819 5.81976 9.477293 -2.618308 3.9642944 2.598534 2.4466915 -0.20901063 -4.080966 -0.54618263 -3.6744084 -2.8622186 0.15814261 -3.8316805 -1.6081765 11.139281 -3.8272176 2.121509 2.8605707 0.8773803 5.6268 -4.024685 0.37383446 4.822444 -8.195774 2.1478715 -2.3473709 -3.3527498 -12.543763 11.793118 5.9080324 8.488764 -5.214652 -3.080295 -0.49074787 4.5505986 2.0328786 -6.0365553 -1.7262169 -5.097625 12.749748 -5.347357 -1.9542688 -2.600699 3.527687 2.9447381 -1.0641575 0.21486028 2.4821296 -1.26315 -3.2338667 -2.0231698 3.405599 -5.1054387 -8.17777 -2.6344953 2.4083304 5.357273 -2.629355 -8.831812 0.09680776 6.025083 -4.8144226 -2.5810792 -7.37739 -2.9566448 5.4605665 -5.0763383 0.59181285 7.0780864 5.0941625 7.341637 5.2517195 0.5867254 0.43765792 -0.7130674 7.1863894 -16.057482 12.03319 7.9739237 -5.839973 4.9101954 7.4429083 -0.9259144 -12.346963 6.1549454 8.705143 1.8907468 0.6384616 -0.99709845 8.933393 8.723233 -3.4421597 0.86294305 -2.5025089 4.020504 9.747047 -13.911292 -3.9253557 6.2534842 -7.4991536 0.8917858 1.7616094 -2.145616 -11.916017 5.2400684 2.4537182 -0.12747687 4.1694484 5.0512295 10.369386 -7.7034645 -12.032274 2.539356 -1.7772377 -4.6020603 3.6178365 -3.0788758 11.464971 9.698305 -8.188892 -2.3450434 1.4572777 8.549115 3.021996 3.010349 -1.8946251 -3.6895816 6.349741 6.3844805 -6.4066477 -2.992546 4.049225 1.1411991 -8.158372 -1.5692562 4.8737254 -1.3515017 -6.546344 -0.53423935 0.5340552 2.5687249 5.61055 4.534715 4.1645947 -3.0620816 1.549814 1.7056165 7.9946756 -0.9426237 3.191545 4.746705 1.8323144 -2.3419693 3.7398715 6.703026 2.9329898 1.1790419 2.1715178 -1.743048 6.091285 3.647466 -1.9634426 1.1287423 0.24819832 -5.3058167 2.6235578 1.8874182 0.24503064 -1.3196741 1.6788924 -2.8367214 2.4088452 -1.5228039 -7.9012356 1.9164305 -7.2448235 1.0135398 -1.3005803 1.732049 -0.67571247 2.9651134 3.9142797 7.2665124 0.9583919 -4.435589 0.60003924 0.23283064 0.73526865 -2.5373414 -4.945254 -5.336237 -4.1638465 -0.7426069 0.727936 -1.3406543 -0.62839824 0.9399574 -1.1781492 0.10377501 -5.6145997 0.5978015 2.0111701 3.0847247 2.032008 1.8531703 -1.0452197 1.1229625 4.3585906 -6.015321 -0.96394706 -1.2842968 -3.7769442 -5.0541754 -7.283158 -1.0929859 -4.694902 1.9875859 1.9878724 1.9175067 3.4715705 1.1439242 -1.078624 -6.1453166 0.3354658 5.0381417 7.148739 -0.7003054 2.2537036 3.1788685 3.4114316 -1.8922157 -12.809424 -0.5719238 -6.5458627 6.423215 3.6150725 -3.7825563 0.35671163 -2.7659626 6.1684265 3.5964546 3.0451732 0.428698 10.35398 -2.4018242 -0.20217897 -9.047887 -0.2966715 -0.7828076 1.598494 6.7448263

(-)-lariciresinol is a lignan that is tetrahydrofuran substituted at positions 2, 3 and 4 by 4-hydroxy-3-methoxyphenyl, hydroxymethyl and 4-hydroxy-3-methoxybenzyl groups respectively (the 2R,3S,4S-diastereomer). It is a lignan, a member of oxolanes and a member of phenols. It is an enantiomer of a (+)-lariciresinol.

-3.8353972 3.6619306 -0.46376395 -2.2660325 1.1919907 -9.263638 -7.1007013 -0.41530073 -1.3388996 3.9197967 8.123192 -9.39364 0.14194174 12.991128 7.1173234 2.264188 4.9474363 0.49925473 -13.183671 7.4287386 -4.0277486 -4.9948783 -1.490387 -8.1213 -1.2021972 1.353189 -1.6976713 11.941669 -1.61624 -1.364173 4.1901855 -3.382266 4.558737 4.9727454 2.9536638 2.6375275 -0.4945274 3.642345 -1.5114352 -2.606006 -4.3676443 2.9777153 0.56595886 -5.2532415 1.819896 -8.046088 8.046949 -3.8869526 1.9239495 9.402762 6.1347113 -3.4515758 4.9752636 2.96527 0.6808954 0.97807217 -5.7318754 -1.2912006 -4.4500017 -2.0971434 -4.1841826 -3.6376972 -3.7116208 6.015262 1.5232372 -5.789967 1.8831089 0.69423735 1.0583565 0.8630262 0.6110401 1.167619 -0.86551917 2.5220115 -0.30050105 -4.417147 -9.081892 11.755934 7.09932 5.272603 0.384201 -5.0267625 -0.18477799 -1.0092963 1.1002774 -2.157386 0.2747158 -4.2982044 12.614124 -4.7255588 -1.0060675 -5.10203 1.4501265 -0.90901506 0.78613394 2.18384 1.458626 1.1298337 -3.544633 -2.0899923 1.764908 -7.0217032 -9.180517 -3.2283835 7.52428 4.168702 -0.261468 -7.0902767 3.3782978 3.0943034 -4.902308 -2.5533345 -4.305167 -1.964906 11.65056 -5.533819 1.6808006 0.117908135 3.1238508 4.9572425 5.496753 1.9225962 -6.5882807 -1.1778392 9.960175 -12.608854 7.468179 7.628694 -5.7365465 3.6820335 2.5230923 1.2118968 -9.736432 2.5341263 10.638085 6.5542035 0.96181804 -2.3473892 6.618255 7.713192 -4.8425565 -0.9374902 -0.40365076 4.3995457 11.266506 -8.691113 -1.7624781 3.562604 -8.848664 3.6765676 8.263781 -2.4779859 -14.258687 2.563148 -2.9393928 4.759824 9.208366 2.0324514 4.756682 -8.077349 -8.050943 -0.5118752 -3.2963378 -3.9492552 8.425276 -3.0285594 13.458268 6.63436 -4.588694 -3.8642862 1.7500584 3.5213141 6.788851 -2.795166 1.990386 -3.0778263 5.182505 4.495071 -7.0063367 1.6768191 3.091904 -0.5882307 -9.416088 -3.7240434 5.8383203 -3.0631845 -2.706569 0.35995477 0.5154089 2.0401337 4.408152 -1.815331 1.7834313 0.44400814 -5.9328074 2.1415286 3.4596794 -1.9904594 1.07892 -0.5189137 2.7249053 -6.2081466 4.2906866 5.827133 2.6250386 -0.8872671 -2.1965053 -1.4555821 3.3441498 4.079126 -1.8569267 3.2085752 -0.08432178 -4.223979 2.4010186 2.4827716 -0.9010804 3.9128928 0.4246181 -5.1163273 5.398317 -9.432741 -6.4681826 1.5657389 -7.49924 -3.7319403 4.7637463 -1.2077585 -0.9324345 -4.1763215 4.2900095 8.259868 1.1364286 -1.597848 -3.0926847 0.7523957 -1.5078607 2.208157 -3.0262022 -2.002721 -0.0066815913 -5.301568 -3.4927409 -0.093185276 3.2098935 -1.442079 2.0815084 -0.59367216 -2.539597 1.6965092 1.9543284 6.9864883 2.641752 1.4926871 -2.9972014 -0.085722685 2.4462214 -9.4108 -2.0468142 -3.7158935 -3.1939502 -6.3105187 -4.420055 2.6549368 -7.0335917 -1.4546591 -1.710851 1.1216743 1.3812513 4.8049073 1.7074035 -4.2260003 -0.182701 7.464947 12.107215 -1.4763536 4.69106 3.8897038 2.6115637 1.0504144 -10.163579 -7.3502083 -7.7104363 6.6844783 7.992214 -7.1273355 2.6970754 -1.822082 9.169794 0.52907455 0.5145792 -0.57503945 11.222817 -2.9234052 3.5183399 -7.1155066 1.3705015 -4.085895 2.707344 6.890903

(+)-alpha-tocopherol is an alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. It has a role as an antioxidant, a nutraceutical, a vitamin, an antiatherogenic agent, an EC 2.7.11.13 (protein kinase C) inhibitor, an anticoagulant, an immunomodulator, an antiviral agent, a micronutrient and an algal metabolite. It is an enantiomer of a (-)-alpha-tocopherol.

4.35361 2.0874176 -3.8033695 -8.712781 -3.7412345 -2.2319515 -0.9160706 5.654892 -1.1779208 1.541645 5.5339227 -14.096596 1.4778703 12.471516 1.7109114 -4.2616224 5.753063 -1.8088143 -10.561719 1.4875156 -7.063262 -7.60584 -2.9277754 -8.213001 -4.285887 2.7340138 0.8881844 17.103718 -5.843014 -6.2000136 1.982253 -2.858793 -0.24510735 9.135136 9.581172 7.6103106 -2.8165934 6.1910915 -4.1871653 1.6077749 1.0236647 -4.7848597 1.8013966 -10.997236 -6.7757797 -1.9330713 3.440922 0.054000787 4.1912284 9.168929 4.617086 -2.4481652 4.1228366 7.3269815 1.9162476 0.1492219 0.19397059 -2.1942463 -0.540615 -2.6877847 -0.38171348 -11.320567 1.9847665 12.47955 -0.1762867 0.17417836 2.8279557 5.3355823 0.47758603 -1.2458876 -0.056720987 -0.10585648 -8.326879 -1.1003067 -1.5119851 -3.1587882 -3.4028647 11.636678 8.270771 8.264267 -4.3204036 -0.034987777 -0.17391394 7.66458 2.3641346 -4.920503 3.4099011 -2.900993 15.705915 -5.469805 -1.6173235 0.3367826 1.553527 -3.0384996 0.040861636 7.6704283 -0.79531336 5.031112 -2.276972 4.5176406 2.034778 -6.902532 -7.172636 -2.0916977 -1.7587672 4.696336 -2.6471028 -2.0561523 0.7348044 4.523715 -6.617602 1.4381193 -7.1706743 -2.3686767 2.3835597 -3.911572 1.2612569 0.4233401 4.3908496 12.677499 7.911486 5.6440587 -4.4761276 -0.070582286 4.2628508 -13.805481 10.944853 6.6318436 -3.414665 5.0900645 11.153758 -3.5610952 -11.239273 2.0631611 7.9981565 0.47331214 -0.33231115 4.530383 14.274538 4.988786 -8.554389 -1.667932 -4.759281 6.711425 5.696955 -14.826573 -5.213369 5.2336445 -7.9322343 0.14009584 -1.2467593 -3.8460643 -16.734394 6.8617992 -0.31392673 -3.1082408 4.3974695 8.071355 7.2659297 -4.9124174 -6.209182 2.963297 -3.7267413 -10.366412 1.1992012 -0.029879734 6.877779 9.765347 -3.9270525 -0.8100205 -0.80222285 9.98775 -0.75705326 1.2442107 -4.9621 -5.771798 6.608405 7.8646703 -10.188749 -9.346955 4.212608 0.95719737 -6.3770657 -0.11201416 6.552736 2.351288 -6.675741 6.000958 3.9917479 9.844112 5.825655 10.960924 -2.579951 -4.9287057 -0.4857813 -2.9869635 1.5307765 -0.7445744 3.1662242 1.0836389 -1.837928 -0.71922356 4.899929 7.528132 -1.9044706 -2.7329435 2.5834088 -2.773622 5.273835 2.58705 -2.7609017 1.4119616 -1.5726454 -6.5935407 -0.25875375 -1.5009217 -0.17217523 2.1805203 5.2079844 -0.97898245 -0.5700783 -2.71465 -7.6354156 1.7734017 -13.152529 -1.6260389 1.0586855 -0.6550281 -1.6702058 2.8741667 4.4077697 5.65418 -1.1369177 -6.742687 5.1903744 -0.37454125 5.3390656 -0.51404655 -0.4789944 -3.9247227 -3.0338051 -0.23699978 -1.1053042 -1.4425488 0.7208214 1.6528213 1.5796764 0.34768876 -5.421861 0.24820407 2.6858134 2.502911 3.073938 1.572253 -2.0647557 -1.2964617 6.2792263 -3.6091318 -1.2280016 -3.1056533 -0.27347118 -3.2819524 -3.816855 2.4459846 -0.42861733 4.184307 2.4251263 -2.0177374 3.5989752 0.3345724 0.9819664 -5.7570195 1.3252611 7.1917324 7.149337 -1.3007474 2.7390265 6.702621 2.1423833 -5.4259443 -13.567369 -1.7868657 -6.260381 4.69393 7.8355536 -2.4300365 -4.454823 0.7053381 8.878298 3.0105908 6.897445 4.3788395 9.545942 -5.547984 -3.2205927 -13.74166 2.830748 0.58813727 0.3476539 4.706721

(2E,15Z,18Z,21Z,24Z)-triacontapentaenoyl-CoA(4-) is a 2,3-trans-enoyl(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,15Z,18Z,21Z,24Z)-triacontapentaenoyl-CoA; major species at pH 7.3. It is a conjugate base of a (2E,15Z,18Z,21Z,24Z)-triacontapentaenoyl-CoA.

12.832297 26.152626 8.930703 -15.242654 6.0033097 -28.333406 -10.929951 18.616056 -5.6538696 20.798113 30.729616 -20.373041 4.293125 7.1011696 6.9768043 -14.845105 8.714109 8.028004 -41.950054 12.309394 -22.062487 -18.594584 -16.469149 -29.157354 -22.010769 15.457473 6.2212124 30.300482 -14.752779 -20.870743 -0.47941175 -8.359101 -1.6016653 19.917109 33.625732 16.518957 1.8631122 31.24879 -1.3681097 11.934873 -10.77757 -14.0416565 -6.2358427 -9.873888 -26.412863 4.4550824 6.4940934 1.7640911 -7.081876 11.718008 31.731827 5.4471493 21.859978 16.808512 21.279612 -14.652742 1.2025291 -1.4005495 -7.4780884 -16.529686 5.145256 -22.791033 6.8808064 27.86922 3.7394836 0.86522883 8.039109 0.54228324 10.870171 -9.716119 4.3443975 2.8622563 -23.794508 11.057611 -3.8658452 6.5324264 -20.830938 16.986198 11.084516 8.102605 -14.649777 -9.576832 1.8236425 19.820332 4.755737 -2.845012 11.318861 8.229165 28.859848 -18.801163 -0.6290713 5.0218863 16.670612 -1.2623718 -9.920223 -2.3279037 14.186442 -1.2080549 9.575198 11.294305 15.3054905 12.047409 -16.38443 -1.7992122 -13.099844 5.114916 2.18784 -0.92236805 14.421825 30.43541 -23.796822 -0.041888863 -24.665056 -8.136555 14.792188 1.8669881 -11.658393 8.4727335 22.55946 24.73492 36.754745 -1.3811681 -21.6328 0.33069742 21.758602 -46.057964 37.38832 31.17259 -6.309199 32.05405 25.188692 -11.688259 -21.368387 21.099117 32.730297 -3.8551943 13.843571 0.09670593 38.91869 18.39925 -5.29976 -4.9357214 7.5724225 21.046038 36.587017 -40.656525 -9.919673 38.72777 -31.545626 0.80695534 14.018216 -0.5473827 -31.778198 4.3815536 -9.75376 7.5716186 17.233538 30.470617 39.240665 -13.229321 -25.07053 9.498212 -22.39545 -17.596354 21.510763 -9.126649 27.867487 24.975485 -21.98703 6.9340763 8.414508 21.368578 8.547706 -3.4026146 0.26320267 -4.8263 37.058434 12.18276 -10.037102 -14.737107 1.9406451 2.8636954 -11.62957 -3.4392512 20.121443 4.3168583 -6.85603 -4.8637543 9.18299 9.115493 15.220287 26.437704 1.3636568 -4.549105 -4.460295 10.894781 8.410915 2.0318568 5.1862226 2.2078304 -11.382524 -8.819848 14.014434 16.845942 6.4643364 -4.8279057 3.8108964 -7.849047 15.45818 9.417026 -4.322142 5.2397 9.623255 -9.2716055 2.7653475 5.3148108 -4.837323 -0.013235986 20.905117 -5.858441 -7.3621025 3.7529836 -16.414886 11.348989 -37.066208 -3.9526644 -13.007742 -3.5590427 -5.1103735 6.3590784 2.459487 15.23424 -7.882193 -12.567422 3.8340726 1.3833815 30.868914 -8.027038 -10.333494 -9.330056 4.108267 -3.481772 1.888129 -10.377662 12.6941 6.743962 2.2642813 -6.585802 -8.408271 15.054739 22.908516 7.6495337 4.8677535 2.7284122 1.9478574 1.5206672 15.833499 -24.83937 -15.521758 -11.332995 3.5463471 -13.636219 -6.939014 -8.737376 11.015455 -2.1324008 12.42691 -2.6960526 20.106136 -9.173076 -7.292778 2.0172 13.617145 2.3280635 17.858482 21.266193 -2.5690386 -12.261975 11.525522 -3.1338573 -5.9497323 -1.3660681 -14.685037 0.9841869 22.308926 1.7858692 1.7529117 -12.457523 15.502161 5.794908 22.3297 3.653965 19.361517 -6.214378 9.963539 -18.152079 2.1732607 10.072979 7.134849 10.346357

N-[2-(4-aminophenyl)ethyl]-4-phenylisonipecotic acid is a piperidinemonocarboxylic acid that is 4-phenylisonipecotic acid in which the hydrogen alpha- to the carboxyl group is substituted by a phenyl group, and the hydrogen attached to the nitrogen is substituted by a 2-(4-aminophenyl)ethyl group. It is an amino acid, a piperidinemonocarboxylic acid and a substituted aniline.

1.9171407 7.441759 -1.7999475 -3.9970138 1.338733 -6.5893264 -9.061849 3.897315 -5.5718336 4.7673464 5.157928 -6.8377023 0.053586222 7.086728 2.1912625 -2.1060696 6.0047855 1.707976 -7.190497 4.6674 -4.947384 -1.2693933 -5.205965 -6.9753914 0.09664284 -0.26550525 -0.78128654 8.8733225 -4.2138963 -5.558191 -1.3398361 -0.5280063 1.3329393 3.865601 1.2461977 2.766793 2.9128187 4.3885922 -1.1491936 -0.1599691 -5.7429466 1.8820897 8.405827 -2.975394 -4.5847297 -1.5033379 6.300396 -4.068904 -3.6322632 1.3039328 6.6564994 0.21112868 1.3813081 1.1785885 -5.0280385 1.3077487 -3.0279477 -2.7964303 -4.236112 -0.6792068 3.026993 -2.3925683 -1.1873795 5.767991 -1.6951575 2.7606015 -2.157906 -0.99245274 0.02939963 2.9470627 -0.68093294 1.4272157 -3.0864978 0.08348669 -0.1289608 -1.9433954 0.109331995 9.270125 5.7690973 8.000942 -0.07526809 -5.403223 1.4847201 2.4711838 -0.5178524 -4.3897495 2.60698 -1.3299615 9.467138 -2.454202 0.50373447 -5.4967175 -2.6997123 1.5264957 -1.1780282 3.1917145 -3.1670322 -1.0522193 -8.768821 0.81003094 -2.326747 -4.1496453 -5.5663953 -2.262914 2.6169858 3.496273 0.23702037 -6.3368173 0.8587575 3.8842347 -3.1778111 -2.7378678 -4.064041 -2.2071779 9.868557 -4.685063 3.9695773 0.99270445 1.6089572 6.645867 -0.3058008 0.028004646 -7.1612926 -0.4209628 8.549378 -7.200393 5.492257 7.258845 2.2227514 3.267313 4.6980915 1.3121331 -10.090129 3.7436318 7.57157 2.8356755 -2.159053 -2.6151435 4.089317 3.588793 -2.8497226 1.0326461 3.0469506 3.9396307 8.924468 -6.5082793 -4.1689677 4.6667023 -5.658696 3.1328335 7.139801 -5.275694 -8.136761 0.80990285 -1.7317562 1.295148 3.4486842 2.082409 3.942207 -5.9112105 -1.8583639 -2.3488905 -6.7461705 -3.5764928 1.291383 -3.4602847 13.147323 3.8662758 -2.804494 -2.9935846 -0.27294815 -1.3228487 6.630305 -1.206333 2.8131802 -3.178113 5.0565553 0.5838734 -8.533082 -0.69501275 6.8936663 -0.21939406 -6.964674 -0.8639946 6.2162313 2.702977 -5.405368 2.8342142 -1.3987025 0.81694084 10.796206 -1.5534128 1.2067424 -3.8910549 -5.552896 -0.8388002 3.8509567 0.31380892 0.8894392 -0.42933264 0.111226484 -7.4571257 1.5712961 3.153621 2.6443005 2.2099292 3.754861 -2.834531 6.108603 4.8710303 -0.40295395 5.4621096 1.017593 0.44304308 6.382414 0.04415555 -2.95058 -0.65630794 -0.2068978 -1.0784166 4.705215 -9.703936 -7.937819 -3.7415333 -8.16307 -1.7680962 3.67371 -1.4282537 1.1833285 -0.61368823 1.1981255 6.8350425 2.515654 -1.8757839 -1.3978463 2.3557684 -1.2004428 0.9742819 0.66452587 -3.515101 0.58859766 -5.904298 -5.7053556 1.3189528 -3.8576207 -5.113889 2.7281077 1.2603929 -5.6975074 2.337054 5.030926 6.113186 4.6305947 -0.74568915 -4.048395 2.515495 4.2754707 -5.7650714 0.51723 -8.154266 -2.8281987 -1.7783297 -6.0860863 4.1355233 -5.3538074 -3.4616196 -2.0805027 -0.13277027 2.5583837 4.120058 0.23037596 0.34176216 -0.44367158 8.542528 11.20701 -4.382266 -0.5083244 3.4670331 -3.7994776 -1.4618807 -8.508615 -7.9665847 -4.7804875 4.543051 2.7298925 -3.9809773 3.3425648 -0.8582396 4.680195 -0.90938973 3.3392477 -0.921729 9.03066 -1.5195471 0.99974173 -6.901319 1.6104186 -1.3654296 1.0347857 5.2451005

O-acetyl-L-serine is an acetyl-L-serine where the acetyl group is attached to the side-chain oxygen. It is an intermediate in the biosynthesis of the amino acid cysteine in bacteria. It has a role as a bacterial metabolite and a Saccharomyces cerevisiae metabolite. It is an acetate ester and an acetyl-L-serine. It is a tautomer of an O-acetyl-L-serine zwitterion.

0.07235758 2.6041834 -0.8977013 -2.1661603 -1.5089567 -4.0116715 -0.79064214 1.2814543 -0.085398294 0.7165699 2.0675611 -2.325031 0.33301353 -0.88156384 -1.1958928 -1.0604357 -0.31223828 -0.3127223 -5.0090423 1.3870466 -1.347173 -2.8060064 -1.2344098 -2.2620804 -1.4040055 -0.4891031 0.21427613 1.4646826 -1.2004409 -3.055754 0.43325981 -1.3672307 0.2665111 2.0870657 1.9273462 1.7188256 -0.9870793 2.452862 1.4186925 1.9015888 -0.9923067 2.1868262 -0.8544804 -2.0403752 -2.5157988 0.2516528 -0.61652136 1.5451697 -1.029767 2.380888 2.676842 0.42912585 0.02521079 1.7331762 2.0708132 -0.061848797 0.334734 -0.054977573 -0.44086376 -1.4697424 -0.60308945 -2.0401707 2.2726824 3.6189966 -2.9540374 2.3748405 2.5880938 0.24191254 0.8083067 1.5269299 1.1489725 2.133548 -3.1805341 0.029674634 -1.7324088 -0.6002619 -2.958133 1.3491375 0.52146995 2.8353212 -3.1192262 -1.522161 -0.63434714 2.4059908 1.8549647 -1.8604593 0.13388813 2.100929 3.0924034 -0.61266726 -0.8909203 -0.12385956 -0.38975546 2.079722 -0.85517967 0.78756213 1.9774702 -0.84153116 -0.39218593 -0.14245097 2.1226244 -0.00094955415 -1.3916538 -1.4767723 -1.7377597 -1.0677346 -0.84819365 -0.7545254 -0.8010271 0.9738642 -0.3552102 -1.5555382 -2.8572018 -0.22779034 1.1150681 -0.4887029 0.7118371 2.1756816 1.5252657 2.1953557 0.1698313 0.12768975 -1.7924807 -1.000963 0.5541565 -2.7685204 3.517715 3.8960423 -0.15146527 1.115961 2.8393314 0.8496808 -2.7276225 2.4453359 3.6890829 0.7433755 -0.81018776 1.1678004 5.981237 1.0202061 -0.87229085 -0.4068387 -0.79751205 1.7164755 4.796647 -5.6714797 -1.7072086 3.0671885 -1.9720325 0.58561337 0.9579677 0.08139014 -3.1199849 1.0774331 0.5647048 1.4392952 3.5288165 2.6924956 3.4528553 -1.3906363 -4.040196 0.33522245 -0.8281161 -2.6528618 0.4389422 -2.53214 5.29492 2.5839117 -2.8957367 0.90522593 1.260798 2.9261365 1.3787348 0.87501556 -0.75089705 -0.7970923 5.86728 3.50313 -2.9409177 -3.6841483 1.381043 -1.1119245 -3.9421268 0.35417467 1.8783723 1.7385678 -1.4385467 0.32156134 1.1457348 0.9563345 2.6716926 3.154167 2.0769837 -1.659581 -0.031142607 0.17156826 1.9115902 1.5046505 0.60706985 -0.57168514 -3.3956401 -0.60413814 0.27557987 2.0063252 -0.16151084 -0.38245857 1.7988434 0.6105763 1.6898167 1.6273913 0.23887925 -0.23884967 -0.0074241683 -0.86851066 1.2152263 1.5984198 -1.7686152 -0.5039153 3.5075552 0.9824162 -0.93934 2.162623 -2.6899729 2.4176934 -4.515865 0.5191241 -2.1136186 1.6880605 -2.2419813 2.0323474 0.95287603 2.988757 -2.0776532 -1.9625312 0.6607859 1.1973088 2.06427 -0.44907367 -1.7873746 -1.6889844 0.6875817 1.1161972 0.17504482 -0.11209695 0.29488188 -1.7673454 -0.29852992 -0.040423214 -1.140478 0.39803374 2.2199473 1.1822268 -0.9855945 0.61489034 -0.83549976 0.105484426 1.627102 -2.7388246 0.8498236 0.5653277 0.12623052 -2.441052 -0.00029920042 -1.1421597 0.53216463 0.23417495 1.2391173 0.82824254 1.8515824 -1.9475789 -1.3731816 -0.146887 1.6209385 2.5069578 2.4985862 0.90968525 -1.2122554 -1.2653803 0.029022664 -0.14260963 -2.6611478 -0.52942413 0.103817925 0.4166808 2.8558812 -1.2213597 1.288885 -0.135171 2.054301 0.39672428 4.847443 -1.1589485 3.2970517 -1.9014065 0.049152628 -3.7517688 -0.20231116 -0.20043188 2.0664086 1.8716345

Methyl beta-D-xylopyranoside is a methyl glycoside that is beta-D-xylose in which the hydrogen of the anomeric hydroxy group is replaced by a methyl group. It is a xylose derivative and a methyl glycoside. It derives from a beta-D-xylose.

-0.17440888 2.208786 0.3345822 -0.3972462 -1.21423 -5.8300066 -1.0109606 -1.6356897 4.266089 1.7701902 -0.0038915873 -1.7241113 -3.2785301 4.925662 1.9079874 1.300678 2.9026525 -2.4648728 -8.32617 4.515197 -1.6535504 -5.051805 -3.451997 -1.2163357 -4.397993 0.21197182 -0.23059776 3.7925777 1.2329935 -1.2073948 2.3163188 -0.5814009 1.6878684 4.135072 6.708336 -0.29838958 -1.6530328 2.7404985 -0.72114146 -0.9616518 -4.7189784 2.2519794 -0.00036650896 0.48110402 0.059049636 -1.3565207 1.111339 0.7583643 -0.8062358 7.2965145 2.5853486 -2.517283 2.9031618 -0.08516085 4.010464 1.2617583 -1.2045813 3.732749 -1.5528445 -0.6390825 1.4696146 -3.4860551 -0.22551621 3.5609577 -1.5801702 -2.0978649 1.4110059 1.973164 0.19429268 -3.439865 -0.74992764 1.4423621 -2.7424395 1.5942366 1.4308906 -2.4580753 -5.7473454 5.091709 0.28540608 1.1294551 -3.4261339 -2.985735 -1.3368168 0.9707534 1.2350215 -1.7476104 2.286754 -0.89422023 3.6012037 -1.6776955 -0.43619972 -0.5843402 0.22162253 0.5717255 -1.1683207 -0.36613503 2.4935193 0.89415395 0.5839149 -2.3688145 3.021046 -1.2529296 -4.3563485 -0.92912126 4.5434914 2.246677 -0.69531024 -1.0494815 -0.030454215 1.8010087 -2.608837 1.0755497 1.4165788 -0.50368005 6.5314474 -3.6017916 -1.3123856 2.2327416 4.1013074 1.3810153 2.9361048 0.96768403 -3.5219302 -1.7256495 2.236405 -7.0941706 4.594355 2.6956692 -5.6070757 2.8069937 -1.0080205 1.5483918 -4.8553553 4.2991953 6.925554 1.7911214 2.9023697 -0.60364217 4.640801 5.234477 -2.2116454 0.37680066 0.33922645 0.37558872 5.793613 -2.3216925 -2.930449 5.204758 -4.2135305 0.7690284 2.4663124 1.342317 -2.9352415 1.4211233 -0.19476193 2.457445 6.1147723 2.8811402 6.0401115 -2.3814075 -6.6601696 -0.057153843 -2.1646717 -0.42803314 1.2356136 -1.1020652 9.267918 3.2343512 -3.959794 -0.8219262 3.5652397 4.383799 2.563002 -0.51132363 -0.9788786 0.3312687 3.7333603 4.061673 -1.5502042 0.2863748 -3.560523 0.40314028 -4.070554 0.08005147 1.0543346 -1.3651193 2.081123 -2.8326492 0.7542809 -0.29424438 2.0187418 1.4884694 1.4006782 1.5979872 0.37139955 2.804731 1.174959 0.039983332 1.2236705 0.5345619 0.5826051 0.7102644 2.2753308 4.9994435 2.088893 0.098693095 -0.31206506 0.534378 0.2574417 3.008506 0.80988795 -1.1411597 -3.1806827 -1.5844309 -1.8819137 2.9132216 0.36552304 0.51745 0.7748072 -2.3505073 0.41973767 -1.9249105 -0.5219415 3.294688 -0.6873868 -3.33912 -2.6015928 1.17124 1.4440676 -0.20188406 1.3083978 0.6111022 0.88238764 1.3817345 -0.57226074 0.7058342 2.8329988 0.5798328 -4.06904 -2.1919434 -1.8766911 -1.115342 -1.2786372 0.49020994 3.0411186 0.9017464 0.5566352 -1.1638452 -0.77600676 -1.820137 0.91322225 0.7957388 -1.9757781 2.1543121 1.9963522 3.249329 0.3963883 -5.004262 -1.7547406 1.7241831 -3.5649903 -1.1210313 0.1548529 0.31448358 0.22921458 -1.5878521 1.7170718 0.80187404 2.5645134 0.50650644 0.5567947 -0.68045866 -0.059361093 0.2833832 5.41105 3.725552 0.5422892 -2.0850282 1.2915189 2.2695615 -0.49264535 -1.3323231 -0.10567999 1.260191 2.6404104 -3.7504513 -2.3847315 -2.0423677 3.445306 0.8630384 0.6942687 -2.6201463 7.160337 -1.2347457 0.6878559 -5.684365 -0.8467978 -2.1762087 2.1348968 2.153216

Rac-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester is a racemate comprising equal amounts of (R)- and (S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester. A fluorescent substrate used to study lipase activity in vitro. It has a role as a fluorescent probe. It contains a (R)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester and a (S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester.

3.5335312 12.02864 0.5320143 -12.978641 3.270719 -9.131004 -10.522516 11.780641 -8.531797 5.5922422 14.273568 -17.582802 2.3659332 5.2380404 0.03382325 -9.542396 1.1231608 9.350137 -22.353737 1.4910496 -11.974656 -6.8256793 1.4251232 -23.27556 -4.78533 9.655034 -2.0784135 19.551489 -11.872237 -11.22268 1.3435743 -7.3726816 1.2146534 12.30638 10.043838 11.841097 -5.9753017 23.446304 -2.5601058 8.09439 -4.853995 -9.744294 -1.774849 -10.784761 -14.529187 -3.4728239 4.1149306 1.4914875 0.43536714 14.077454 16.39465 4.9735603 10.976419 11.611309 6.973637 -10.428754 -0.35628176 -7.9526644 -3.6247983 -3.63753 -5.4342165 -17.22013 0.22311535 19.758698 7.6667395 1.556042 0.21956216 -2.3139741 6.9920387 1.4968584 1.2578783 -2.3046463 -8.748254 9.343443 -6.834009 0.53946567 -8.4446535 17.501904 8.626829 8.689234 -9.502049 -7.421477 3.195031 8.822387 1.9509245 -0.649328 5.2759933 6.4015903 26.414833 -12.751824 0.07329928 2.7910318 7.889126 -2.161004 1.8107399 -0.36705014 5.3637223 -1.9201195 7.449226 11.593881 6.024945 0.12775749 -11.806616 -4.841322 -11.630251 8.183281 4.72638 -3.4918609 6.1005793 15.779093 -10.972353 5.4206233 -17.454298 -3.1782167 7.929809 -2.7679875 -0.3323236 4.8964987 10.645834 18.65932 20.75215 3.6050956 -15.736843 -5.1215386 12.863716 -29.416462 18.894924 20.119356 1.5172817 12.43328 21.417564 -10.092994 -13.003469 10.08096 19.172815 2.028728 3.50486 2.6039505 22.319466 6.798023 -13.474395 -0.6752319 -3.3958185 11.418972 24.557524 -26.771637 -7.9654803 18.724695 -18.701624 2.9037597 12.16499 -0.4694716 -19.954483 4.6710157 -10.828068 6.1894007 13.354826 17.953928 23.599401 -9.066546 -17.279716 2.1768165 -13.40116 -14.607033 18.510057 -1.722418 17.067968 17.875786 -10.148752 10.237691 9.542712 13.260892 2.755394 -0.47330177 -2.2446942 -3.8967075 25.45026 7.737196 -20.883547 -17.877768 6.757663 0.64497465 -11.667218 0.17415544 12.592997 6.9939375 -8.097971 6.3406515 7.7961507 12.174651 9.51078 17.92689 -4.8918624 -1.1989015 -4.739298 -2.5232687 1.9303973 9.638772 5.4363995 0.9692912 -11.924244 -8.142555 5.4224496 9.32037 2.5601642 -8.471866 -0.39477137 -0.46427497 4.47056 4.9126496 -10.095632 3.1012986 10.474277 -11.117497 3.3134243 2.6428719 -10.744719 2.4073074 12.6386385 -6.0351176 -2.69162 -0.00014424324 -15.212923 4.5919337 -33.630478 3.6444385 1.0985847 -3.5274324 -7.0675197 5.132951 3.7296162 11.8181505 -5.7078996 -12.902071 -0.76982594 2.3323255 18.665552 2.0654786 -5.7950573 1.3280385 2.327546 -9.161353 1.6825675 -4.9612536 5.873251 2.0086358 9.607175 -2.59569 -8.833533 12.400706 9.431604 2.4552014 4.309956 -0.3547946 -2.09379 -4.467947 12.027113 -15.466958 -8.30252 -13.361536 4.138154 -11.344065 -4.4911313 -2.5057802 5.03672 0.30154434 -4.3285275 -8.8947525 10.33763 -1.0159109 -5.3326645 -7.2591166 5.760643 10.199513 13.113778 14.174555 -2.5333097 -5.5543847 12.000201 -5.599488 -13.1443205 -9.400322 -8.88822 1.9338596 17.269897 4.3276052 6.6058054 -4.854355 14.205002 6.8841267 12.801991 5.949265 16.62514 -4.612438 10.320372 -14.358064 7.883419 0.13020392 5.346437 10.9579735

S-(4-hydroxy-1-oxononan-3-yl)cysteinylglycine is a dipeptide that is cysteinylglycine in which the thiol hydrogen has been replaced by a 4-hydroxy-1-oxononan-3-yl group. It has a role as a Brassica napus metabolite. It is a dipeptide, a hydroxyaldehyde, an aliphatic sulfide and a secondary alcohol.

-0.09489027 4.8164535 -0.13426094 -4.667374 -0.76911205 -6.700652 -1.4261681 4.0839458 -6.168159 3.931689 5.9222913 -7.977263 2.2451255 -1.4949208 -1.0165286 -4.505707 -0.5078218 0.25748625 -9.821487 4.0211396 -6.6196914 -5.30993 -3.0535877 -8.419972 -3.177314 5.276402 3.6468618 5.857915 -4.517384 -7.7634764 -1.5543342 -3.9271998 -0.42238694 7.396981 5.451047 6.4519944 -1.9593289 7.596105 0.12776105 7.554829 -2.769938 -4.0195765 -0.17512546 -0.28668988 -9.144769 1.4395183 1.0060896 1.1391289 -3.0796342 5.081543 6.346189 2.5800116 3.0031545 4.794549 4.0070124 -1.6381803 3.161316 -0.24875033 -0.8663177 -3.7896655 -1.6697408 -7.1593337 5.1015487 8.693915 -2.6092477 2.8348458 2.8911564 1.0457598 0.059249572 -0.83886933 2.4583724 4.0092363 -5.581303 1.570503 -3.0967057 1.1604689 -3.271062 1.8117504 0.3311395 3.833379 -6.876251 -3.170535 0.13390055 6.187102 3.2417681 -3.6405985 0.90387446 2.7717018 5.8350534 -1.679262 -0.20448709 2.1429956 1.7557954 2.576346 -0.08878635 1.684243 0.7129967 -1.8941853 -1.0416276 1.9436424 4.3828053 3.304065 -3.9706018 -3.099679 -2.70319 -0.8008418 -1.7000213 2.4691105 -0.58418167 5.1017275 -4.566157 -2.6492283 -7.631313 -1.5734755 -0.377544 -0.9508914 -0.31746352 4.1974545 3.1946874 6.768249 4.1413465 1.7293797 -4.5825453 -0.68579876 2.2551944 -7.3982086 7.7401443 7.9716396 -2.166455 2.7607975 9.262986 -0.4719841 -4.4868293 4.2609415 5.90613 -3.245065 -0.60749227 0.73167425 12.080573 0.79437715 -1.8916677 -0.6236691 2.2894247 6.6192284 9.01099 -9.637615 -2.7396374 6.743889 -5.2092986 1.1668662 2.362749 -0.9522354 -6.861656 2.641476 -0.7556992 0.9916212 5.004447 6.286624 7.3887444 -3.053595 -8.472616 2.5713549 -2.4988315 -5.521559 3.5203156 -4.335397 8.221881 4.7707057 -3.6947713 2.5228631 -1.8527683 5.9657965 1.1029441 0.084799476 -1.3526894 -0.71425956 11.88701 5.758086 -7.0633836 -9.907752 3.5189676 -1.2661223 -5.470494 2.238123 6.2241974 3.8074543 -3.2191088 -0.842977 4.788502 4.704015 5.0398636 7.9266644 0.8440495 -3.9287813 -1.260457 2.8546994 3.0234275 3.4880087 3.243391 -1.730819 -4.241898 -1.8632383 2.9241004 2.9987838 1.3792838 -2.1076972 1.7898152 0.25977376 3.8515437 1.3610908 1.0176493 1.904305 2.9996312 -3.190157 2.8174195 1.3274864 -5.2491074 -0.7022104 5.1054993 -0.9768631 -1.6689091 4.925085 -3.2378838 4.544918 -10.774567 2.104186 -4.1815705 1.1755207 -6.6760235 5.120695 0.6250452 2.8133287 -4.956683 -3.999677 3.1738594 0.23509312 5.482004 -1.4512377 -2.8686445 -1.8807524 1.2510252 -0.983429 0.99208605 -2.145342 2.4600422 -1.21707 -0.5639087 -2.4820697 -5.300827 3.6439903 7.3248377 2.221582 -0.04702416 4.2022114 -0.89132446 -1.6739359 7.285755 -4.314124 -1.8045276 -1.0447149 2.549603 -5.9269857 -2.439527 -2.7888806 2.3346064 1.8801364 6.4311247 0.15111586 8.156155 -3.0776074 -2.9914796 -0.9032922 1.7775555 2.956766 5.9113507 2.5956671 -1.6950891 -0.55910766 1.6084015 -2.7835927 -5.634933 0.5258418 -1.1454684 1.7796639 7.992773 1.033119 -0.35765332 1.1663383 6.1886635 1.3223798 9.050619 -0.6039616 6.008209 -3.6199589 -0.032342754 -6.439712 1.1881144 1.7249305 4.7339053 3.0649505

Disulfur dinitride is an inorganic heterocyclic compound with formula N2S(2) and consisting of alternating sulfur and nitrogen atoms making up a 4-membered ring structure that is that is virtually square and planar. It is shock-sensitive and decomposes explosively above 30℃. It is an inorganic heterocyclic compound, a sulfur molecular entity and a nitride.

0.7095953 1.301914 -1.5657344 0.11583261 -1.4886826 1.0738552 1.2043209 0.52262974 -0.5596861 0.807865 0.57333815 0.046804197 1.6662545 0.25046355 0.87894994 -1.0705622 -0.96988165 -0.57689524 -0.36608922 0.8159054 -0.7972138 0.22606833 -0.30403158 0.007942911 -2.124668 0.3383512 -1.018929 -0.46091533 0.9416411 -1.8284748 -0.70225096 0.7429638 0.99855065 1.8112634 1.3846357 -0.5105182 0.18318012 -0.73979443 1.291874 -1.1291714 -0.88610697 -0.291212 0.46941578 0.20228863 -0.92816937 0.5427195 2.1797512 -1.4288844 -0.544247 -1.2098453 0.45449173 -0.17634329 0.58144075 0.28930324 0.5811574 1.3222312 0.1278823 -1.4793936 -0.39071822 -0.5449334 0.072701395 -0.28278452 0.29018885 1.7381036 -1.7588868 0.3181131 -0.010409571 0.25835377 -0.3089832 -0.60063505 -0.6573553 1.5036492 -1.0764248 -1.5578715 -0.9428486 0.049472325 -1.969966 1.030521 0.2213605 0.884405 -0.051838372 -0.787534 1.2525386 1.5135596 -0.17638834 0.53791475 0.11236094 -0.43699884 1.6086003 -0.8802692 -1.6481974 -1.8861003 -0.30157027 0.051487453 -0.23417711 0.7518339 0.9353807 -1.4668713 0.10405364 -0.03469626 1.0975789 -1.8466803 -0.16244125 -0.9925707 0.9783819 -0.46728194 0.51813 -0.10496658 -0.95654356 1.600542 0.04069013 0.4263786 -1.3203517 -0.7375428 -0.7708023 0.6718414 0.45200518 -0.50166106 0.58780754 1.0416317 0.0051939487 -0.7712975 -1.2183657 0.28864965 0.65415835 -1.5539148 1.5481206 0.49317878 0.7096044 0.65047044 0.6444324 -0.93098783 -2.118812 0.4499575 1.2299564 -0.7308037 0.2990473 -1.4011382 0.65871704 0.31892356 -0.22755007 1.7426906 0.06942919 0.8936609 1.7962188 -0.42714277 -1.8099195 1.9257296 -0.7438209 0.6968986 1.0758257 -0.20457435 -0.33558452 0.44293362 -1.1323694 -0.49557602 0.74662703 0.9499512 -0.8056681 -2.4297678 1.2239169 -0.34526065 -2.121813 1.4791386 -0.5561981 -2.2417917 2.0100565 0.7605107 0.5784028 0.74518216 -0.78073573 -0.6113446 1.120366 0.643716 1.3324025 -0.36401325 0.20833129 -0.2962442 0.28504494 0.4692816 0.35182318 -0.55725366 0.12442213 -0.656151 0.4154815 0.5274308 -1.1188154 1.4547713 -0.31015912 -0.4832331 3.362852 0.92529166 0.35495326 -0.66401625 0.6534567 -0.62108 0.41540414 -0.24003965 0.4648373 -0.1063771 1.8210902 -0.7873384 1.5125101 0.840131 0.6023257 0.19290112 -0.7831196 -1.4047631 -0.23342353 0.71822435 0.7679995 1.0057131 2.0719066 1.3722953 2.09545 1.6146727 -0.49114418 2.1159286 0.24045756 1.7547904 2.2757306 -3.0074878 0.2985348 -0.8007607 -2.1326587 -0.39414293 0.3506343 -1.6659441 -0.029591784 -0.1381572 0.74922657 1.2634314 0.9660331 -0.10305387 0.45000437 -0.12857461 -1.0958773 0.9838182 0.90975064 0.266416 1.0722774 -2.838657 -1.3188219 0.6602876 -1.1834097 0.10453658 1.3313729 0.058593363 -1.4976168 -0.7962096 0.60580826 0.50658953 2.0692668 0.55792385 0.2658551 1.4519311 0.19333427 0.0030206963 -0.055479135 -2.1208599 -0.8439329 0.6241458 -1.7380297 0.90102696 -0.30884254 -1.1851069 -0.6068781 -0.23330688 1.2285147 0.5247295 -1.6484287 0.7884003 0.5051053 0.73325896 1.3499844 -2.3807073 0.72527266 0.88281983 -0.4438744 -1.4390438 0.48387766 -0.39760175 -0.4677901 1.1940867 1.192039 -0.6623895 -0.7472731 0.9819671 -0.9835023 -0.17638233 0.5439238 -0.6847131 -0.069253094 -0.6061168 1.0136179 -0.45650864 0.18489103 0.82651675 -0.33114147 -1.3849746

2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol is a member of the class of triazoles that is 1-phenyl-1H-1,2,4-triazole substituted by 2-hydroxyphenyl groups at positions 3 and 5. It is a member of triazoles and a member of phenols. It derives from a hydride of a 1-phenyl-1H-1,2,4-triazole.

-2.226075 8.390962 -3.1111248 -4.4233165 2.3422601 -7.9963923 -10.738347 4.403503 -6.3497143 3.3844905 7.6747727 -6.359143 1.9532132 10.13938 5.6443954 -3.7910793 2.8925936 3.0269215 -10.779813 4.835933 -5.3160067 0.7344569 0.36432904 -6.9162216 0.5780302 -2.3653672 -1.870604 6.8421 -2.19156 -5.0474625 -2.1506922 0.7326996 2.7845411 3.0301578 -1.1237086 5.1273837 5.5776033 0.64071697 0.8007218 -2.3841512 -3.1981845 2.3562076 2.7515678 -4.9834695 -3.9866707 -3.251664 11.233502 -5.5927277 0.11630394 2.5930247 8.849888 1.727988 3.2723014 3.5190263 -5.4110146 -0.29926667 -5.7554374 -7.582233 -7.3372393 -0.21739505 -0.68662935 -0.8446896 -0.43894452 1.7328308 -1.5498638 1.267202 -2.6595142 0.15431994 -4.173494 6.737901 1.1768343 2.379902 -2.6831262 0.69451576 -2.418769 -1.8643667 -4.4835978 8.676343 8.099247 9.389704 4.2796946 -4.165708 3.1070905 0.7203263 -4.6433167 -1.6521423 3.2929916 -4.079012 10.015499 -3.3154585 -2.0371506 -11.167771 -0.13157657 0.3436411 1.5665214 2.683339 -1.9374838 -0.111878656 -8.504597 1.249055 -3.701788 -5.334578 -6.7689743 -2.7318673 5.6554327 1.5541716 0.46477783 -3.2350194 1.4425778 0.00031772256 -2.1245983 -6.3755574 -5.738996 -4.4088717 9.215112 -5.6740007 4.3447504 1.2630122 1.2028396 7.052654 2.3764467 -1.7399551 -8.079433 -0.9332026 11.68843 -6.5660534 5.7367625 6.299593 0.9833861 1.3564681 5.97469 0.82301396 -10.923447 0.37375104 10.026255 5.5156703 -4.0146885 -7.918551 0.6884598 6.632807 -3.6605983 -0.7421105 -0.12148039 6.0738993 12.847688 -7.5052285 -3.0526533 1.696282 -8.625519 2.3729527 14.83563 -8.548756 -16.621138 3.8927355 -3.6439924 -0.35879415 3.677896 0.24901783 -0.869339 -11.053321 0.92885137 -1.8170602 -6.9116745 -2.4319909 6.738637 -4.081086 14.97013 4.0684648 -1.7099767 -5.0314355 -1.4241189 -4.7959323 9.624517 -1.4356114 5.913395 -4.8444405 5.02182 -1.8004725 -7.036055 2.3070502 10.470553 -1.6609696 -6.7974687 -2.835828 5.414116 -0.042250857 -9.141342 5.5176964 -3.5214028 -0.22393368 9.7381315 -3.816422 -1.5566721 -4.033845 -8.472473 -3.1716752 3.555192 -2.638376 -0.9520342 -0.5509659 4.5535364 -13.520664 1.7834189 3.2744176 0.35895413 2.1777568 0.88645977 -4.2293444 10.02624 2.7323618 -0.54725206 11.548226 3.5867646 5.5325212 6.4871693 2.5166488 -2.2090268 5.463169 -1.9821696 -4.5275965 4.0359807 -15.403535 -6.720096 -4.863094 -10.306379 0.31665242 9.618522 -5.453844 3.1327646 -5.2746253 2.6476083 11.250853 4.3991337 -2.358766 -3.4272783 -0.0022299737 -4.5461116 1.3187561 3.3506424 -1.8289715 0.1278908 -9.266259 -7.3091474 0.30172402 -0.5715795 -3.4981759 4.7751102 -0.24173623 -5.638504 3.9179053 2.9336426 9.321874 7.2635536 -2.073991 -5.4284735 -0.29701325 3.7241929 -6.1653824 0.5664702 -8.536673 -1.15941 -3.1373298 -9.593084 5.4277153 -8.383774 -2.489221 -3.7678392 2.2025032 1.096822 7.570432 3.5654027 -1.8106852 1.9179493 11.664347 13.375869 -6.130798 5.5869484 5.9387965 -0.3566863 -1.4308589 -8.141854 -10.122633 -6.1389604 9.16571 4.969373 -3.5289874 6.2727666 -2.1258967 5.501277 -1.0067973 1.249176 2.2779596 7.4317017 -3.8649528 2.935062 -4.9299493 2.6523867 1.8130563 1.1056685 4.335572

Dammarenediol-II is a tetracyclic triterpenoid that is dammarane which has a double bond between positions 24 and 25, and is substituted by hydroxy groups at the 3beta- and 20- positions. It has a role as a metabolite. It is a tetracyclic triterpenoid, a secondary alcohol and a tertiary alcohol. It derives from a hydride of a dammarane.

6.4347734 2.4743261 0.111407414 -3.7939806 -7.534494 -2.402603 -3.0820167 -0.39595246 2.4496422 11.921138 10.705616 -7.548704 -2.138956 12.951904 4.29746 -0.87004775 18.724844 -3.4136143 -12.111944 1.7499067 -4.189766 -12.5350485 -6.9812956 -2.3997777 -11.437945 1.8364222 0.738876 21.679316 -1.2161316 -7.4832478 2.2955515 4.990225 -0.6820799 7.3996463 13.7908945 0.4179896 0.6490294 5.3244767 -5.970307 -0.17502533 -5.261478 3.0665784 14.716124 -6.2888575 -4.3663225 -0.48042235 3.161791 -0.95279115 -1.3112516 6.190626 6.736858 -6.5807824 7.842485 0.61877906 3.7446904 11.796424 -0.77400315 7.996509 -1.8516557 -4.0862265 10.427217 -10.488755 -0.80933475 16.842974 -4.949644 -3.896114 4.4247212 2.6840217 5.359377 -4.778325 -7.16709 2.144016 -11.622458 0.9841141 5.324643 -4.3307376 -0.60954887 11.07178 5.1663146 1.16785 -4.520564 0.12928016 -1.7926173 9.763974 3.6303654 -6.641355 5.865081 -5.9968276 12.411882 -3.2004206 5.3547597 -3.0558343 -1.8408568 2.7031326 -0.5800104 6.269523 1.1034191 5.5871224 -3.1484795 -2.6382608 3.2290452 -9.9475765 -6.8219967 2.6076422 4.9679427 7.999365 -9.373945 -6.8463697 -2.6962533 12.081897 -11.026851 6.093046 1.7783489 -3.6951044 5.6086135 -7.980669 -1.667564 -0.65202296 7.2037287 12.285959 4.309122 5.5641794 -0.24120507 -1.5639398 8.337717 -15.606061 11.48082 5.4828672 -5.430359 12.490002 2.3089693 0.03425297 -12.747669 3.935862 9.95841 4.13991 4.308592 5.776955 14.467382 8.88333 -11.451157 -0.5052801 2.1492705 7.2391133 3.1300392 -13.589121 -8.937397 7.071124 -9.3038025 0.21078871 -7.5460434 -4.320386 -10.046619 7.2539415 7.261278 -1.9906753 4.335893 7.857357 13.034752 -5.730626 -7.245477 3.9719718 -7.7133217 -7.19402 -15.75161 1.3890934 11.089462 5.6476727 -7.4063272 -4.51822 3.3772647 10.424838 -0.23636787 2.3271976 -4.576586 -6.0948462 1.0519533 11.167658 -4.7505593 1.7866223 -3.6168354 4.565839 -9.015699 0.15715808 7.528504 1.1033418 -5.564003 1.1312225 2.7222278 2.2526302 8.030028 7.932356 6.287521 -8.588584 8.284498 3.6118462 8.3175955 -2.8563225 2.6653082 6.2577496 4.3739786 3.9143713 6.469254 9.437212 2.9973154 4.7109184 5.6644998 -2.2066813 2.9150007 5.637846 -0.41112494 0.32969457 -7.986487 -9.840685 3.716031 2.9600468 1.5685962 -2.5448763 3.089542 3.3571277 7.2127337 -4.1946797 -6.6387777 -0.23963189 -1.0950196 -8.893253 -5.443339 3.3434837 1.7158135 8.9660845 -1.5141146 1.1246595 3.6357393 -3.7527163 1.9014807 3.8020003 5.068319 -1.0370059 -4.5008135 -13.224134 -6.1520205 2.4161484 -4.772856 1.2496614 -7.2770095 1.0921466 -1.6941807 6.977176 -5.822276 -3.873778 1.7815315 3.2844305 -1.5096143 3.973581 -0.5725527 9.26832 6.0183897 -5.559794 1.1637132 1.1002913 -9.507486 2.2738433 -7.25036 -0.9555158 -4.20583 -4.0040693 3.8330207 -0.6466284 7.4159155 -3.2464151 -1.4971787 -4.1336594 -3.8248994 10.499262 9.201373 0.09674764 -5.949494 2.286121 -2.0201025 -6.9846425 -15.205572 -0.95678157 -2.6744523 -1.1934017 -0.41882813 -7.1148725 -14.817607 -1.650597 14.061996 8.111574 7.5087953 -1.2628384 17.167263 2.7798204 -6.047562 -16.238287 1.6315788 0.35928637 3.6556585 6.4382005

Enflurane is an ether in which the oxygen atom is connected to 2-chloro-1,1,2-trifluoroethyl and difluoromethyl groups. It has a role as an anaesthetic. It is an organofluorine compound, an organochlorine compound and an ether. It derives from a methoxyethane.

-1.0360377 2.6545146 -2.6601567 1.1626174 -0.25447467 -0.6236448 -5.8237004 -2.9680808 -2.101372 0.8464869 3.8273342 -1.008095 -2.3943408 4.0631537 -3.3712208 1.7813511 3.4009662 -3.014419 -5.974162 4.6256804 -7.9975357 0.5948013 2.0416098 -1.4827783 -5.04448 0.3059976 0.68377537 1.9976788 4.422545 0.4288776 -2.328365 1.4361317 2.273568 5.596985 -0.25830254 0.28215486 7.1902328 -0.46035638 -0.67342865 -1.9816082 -2.4327843 -2.1606278 -1.0800884 -2.4505153 -3.6526148 -2.794595 2.0420847 -4.1641865 0.6042829 -0.6979113 2.2726135 4.163625 2.454084 -1.0554186 0.2914733 4.684398 1.3489151 -3.0050282 -2.1704748 -2.368532 2.8189406 -0.3072007 2.0229053 0.99687266 0.10939839 1.1632376 3.5995903 0.28946406 2.9061375 2.2983334 -2.250536 4.512621 -0.30386418 -0.34067458 -2.9087007 -1.7345147 2.4012086 1.4109586 5.0291724 -0.360412 3.3721173 -0.2111924 -0.58682346 0.017713565 2.6797633 -4.8681483 1.8573462 2.580062 7.23502 0.6553509 -5.060112 -7.3460884 1.8311605 -1.0017195 -1.4229114 2.8520663 2.4244943 -0.9878495 -2.0095122 3.6569402 6.017536 -1.2588831 1.2990438 -1.9208885 -2.4484856 2.97043 -0.09372538 5.8705096 -1.4491981 3.231914 -1.80196 -0.45816553 1.1595209 -1.636334 -3.053142 -2.2476556 -4.870588 1.9498467 0.19610012 -1.0750219 2.6304197 -4.2204113 -3.6527135 -0.74850553 -2.5029218 -1.8375462 4.9675674 4.213418 -0.34686485 1.929933 3.4876738 -3.335435 -6.909261 4.321329 4.9894624 2.7910833 0.768545 -1.6414644 0.8841389 -1.998594 0.4012507 2.8042483 2.5504973 4.52119 3.8900373 -8.370925 -3.2938101 4.244923 -2.0997858 0.52904737 -1.5899825 -3.8353808 0.63198423 4.7747364 -1.1663426 -1.5545588 3.855622 4.2577806 -1.8340416 -0.48944175 1.1423967 -1.0006125 -0.594444 0.5395658 -3.301597 -3.268173 7.268543 -1.647967 -1.399736 0.021137312 -2.9466255 -0.58298653 5.7646456 -0.24127336 4.727005 -5.3872266 5.217982 -0.56857926 -1.0304781 0.5732874 5.005118 3.0391653 -0.67532796 -2.0276468 5.177245 1.9987015 -5.1402874 1.7201252 4.654416 3.485687 6.961169 2.9417148 -0.40469933 -5.957077 1.7340192 -1.7206056 2.3434734 -2.2424915 -1.3127602 3.8460789 2.9415777 2.497872 0.49049553 0.4971573 -0.19602883 0.68129486 -3.6042895 -2.033706 1.9235638 1.157388 -2.2299435 2.312492 1.958515 2.8840084 4.9589133 3.2562056 -3.4315624 2.8211968 -5.2310276 1.4468747 4.1860094 -4.8757505 -1.6509097 -3.3740914 -3.3247285 -1.6338817 -0.8570665 -1.2564405 2.2955654 1.890481 4.2398977 8.052881 2.2372594 -1.4775171 2.5829072 2.7888632 -2.0309672 4.219171 -0.115782596 -0.51612425 0.3009151 -0.4511301 -1.1120476 5.859762 -0.45582548 -0.78406394 2.765268 2.372025 -6.2536974 -1.9232713 0.5675376 4.550729 6.510407 1.3082027 -4.9376273 0.7283162 1.0066922 -2.4894865 2.3552332 -0.3772872 -1.4209437 2.9777062 -0.37927273 0.5304388 -1.6869934 -2.9707742 1.2049193 -1.2401593 1.2905285 -0.87887484 2.0311937 -0.8974184 1.9644423 -0.15211016 9.517342 -3.0988767 0.056878746 0.97654986 -2.021675 -1.792063 -4.666958 1.3319248 -4.9980955 3.8255541 2.5235436 0.85474926 -3.9744406 -3.2754421 -2.5194309 1.8153881 3.6538265 1.7112327 3.2342246 -4.1524935 2.2901962 -5.1981544 -0.23224336 7.186319 1.5849549 1.3569918

Ganciclovir is an oxopurine that is guanine substituted by a [(1,3-dihydroxypropan-2-yl)oxy]methyl group at position 9. Ganciclovir is an antiviral drug used to treat or prevent AIDS-related cytomegalovirus infections. It has a role as an antiviral drug and an antiinfective agent. It is an oxopurine and a member of 2-aminopurines. It derives from a guanine.

-1.6021707 7.7192845 0.26480305 -3.605273 1.2449234 -6.8632755 -5.1285996 4.7285614 2.807911 1.721358 4.6022363 -8.150844 -2.007156 7.98996 0.5556448 -1.1544074 0.58669543 0.48930883 -12.400238 3.5148141 -5.8987617 -2.5898633 -5.956291 -4.8666143 -2.9839666 -0.16385004 -1.6158855 5.1894784 0.2126422 -5.122881 2.4445624 -1.4026495 0.77268404 3.4757726 6.86133 2.6259706 -0.5459515 4.758349 1.2032447 -3.253821 -0.6098355 -1.4774942 -1.6193188 -3.6590233 -5.1518173 -0.36261982 1.6187811 2.7657652 0.8892865 3.8752608 5.1960526 -1.2131393 2.2869928 3.4752984 0.7903137 -3.9265866 1.3438333 -3.1921518 -3.66181 -3.839992 -2.306391 -2.05265 3.864891 3.4485807 -3.1569626 0.43159026 1.1245254 1.9902132 -0.0080354195 3.1056707 -0.30479887 0.971995 -4.1132455 -1.5338225 -3.8677244 0.7979319 -3.4471412 7.1560273 4.2288713 3.8868697 -2.4793909 -4.0140944 2.331697 4.0836806 -0.789239 0.5545821 4.8477354 3.8740616 7.1866355 -5.3376174 -1.8526721 -2.8679357 1.1410604 -0.8934084 -1.3838899 1.9118496 0.18004702 -0.18915355 -0.9499663 0.9754356 0.4171408 -0.11695684 -5.595234 -1.0274146 1.6947687 -1.6597402 3.2279842 2.281458 -0.06363936 4.7260437 -4.0533557 -2.5457625 -3.7559378 -3.5276182 7.533755 -1.9995459 0.4852038 2.0456014 5.3101826 5.691076 5.8200874 -0.39656344 -11.06521 -1.0431974 4.328726 -4.043146 10.444406 4.6150117 0.14305091 4.6923156 4.4487534 0.6122779 -7.5314016 5.68361 10.9720545 1.2723048 1.5125709 0.011677399 10.085215 6.4537506 -0.77501285 -2.0356812 2.3963375 5.8843026 8.779972 -4.2915726 -3.0822015 9.335678 -7.7625003 0.87450117 5.70826 1.3649175 -11.788888 0.34264284 -2.194258 0.12873936 8.3209 5.0335135 5.8883586 -5.4024243 -1.6913046 -1.916089 -8.57958 -4.371866 2.421767 -6.502925 11.663266 2.8760338 -1.4748392 1.7127316 1.2293639 -2.027801 5.9329844 -4.49282 1.8140358 -1.7249264 5.386703 0.7352966 0.054306854 0.26439396 -0.0625667 -2.161865 -0.12202208 -1.6060627 6.667471 -2.1396716 -0.351423 2.1155045 1.5298473 -2.2146704 8.780845 2.6472569 -1.7689337 -1.6633965 -3.8513992 0.8770161 -0.8214564 -2.0334992 -0.41249427 -1.3060473 1.8800914 -3.7478285 3.6892023 4.542041 2.7038472 2.1396685 1.3120776 -4.8075867 4.2729526 2.7701082 1.1949836 4.4106374 2.0011225 5.908183 1.366076 4.366079 1.1934508 4.355739 0.7534411 -1.9842421 0.18775293 -9.986231 -4.0182214 1.7472827 -7.853456 -2.7206378 0.53186584 -3.664984 1.053316 -3.3070402 -0.60021037 4.2444487 -1.6336497 -1.4939016 -0.31498188 0.10077766 5.279253 1.1420293 0.34573054 -0.42632383 1.8797448 -6.1060886 -2.8213751 -1.6000001 3.6091993 -0.33750737 1.4815136 -1.3847837 -1.0774434 0.7951126 5.697429 2.2097335 3.5042458 0.20199339 0.07525667 0.15230916 1.0661958 -7.875808 -1.277316 -2.4590576 -1.2187202 -3.4881146 -1.4142573 3.7823603 -0.044029757 -0.08896863 0.18572967 0.8660858 0.9824474 -0.2800713 0.69601446 2.5023122 0.7523654 0.8248119 9.108297 2.6467383 2.844385 -3.834695 -0.46434805 -1.1139632 -0.499778 -2.8099012 -0.7609637 0.4487204 4.194335 -2.9529905 -0.49541008 -2.0154548 1.9014485 -2.5415676 2.0697792 -0.09283701 6.037706 -4.7168503 1.0577196 -5.3348536 -0.6869833 0.7804286 -0.20533761 1.704056

18-hydroxyoctadecanoic acid is an omega-hydroxy-long-chain fatty acid that is octadecanoic (stearic) acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group. It has a role as an apoptosis inducer. It is a hydroxyoctadecanoic acid and an omega-hydroxy-long-chain fatty acid. It is a conjugate acid of a 18-hydroxyoctadecanoate.

1.1964198 2.79531 1.3923466 -6.458297 1.5646176 -4.1142025 -1.1965768 5.489049 -4.3307443 3.043381 3.157875 -7.751382 -0.0597967 -3.0050616 -1.7360625 -3.9942124 -1.402944 4.537007 -7.444896 -0.21700825 -4.6371655 -3.4534502 -0.59775174 -12.245307 -1.6848581 7.4634447 0.65105313 6.95886 -5.143407 -4.5456944 0.5355545 -4.0724764 0.33366406 5.4016495 5.401821 5.282085 -5.2668185 13.307582 -2.1390944 6.926854 -3.0460224 -7.6717362 -0.048144743 -1.1638765 -9.144302 0.16646828 -2.5289166 3.3950143 -0.6410555 6.3455195 5.221737 3.261699 4.896484 5.2388105 3.7344103 -6.3304954 1.276422 -1.119169 1.3738904 -2.9229808 -1.8412801 -9.358829 1.1363472 10.394891 4.837918 -0.06765586 -0.98666936 -0.82521415 2.3797994 -2.139123 0.18623638 -1.4109455 -3.170885 5.4317355 -1.9101665 -0.89447117 -0.32399493 5.242338 0.7848958 0.7092316 -5.8856783 -2.8492858 0.055820853 5.4287386 2.2288723 -0.10456815 2.441244 3.2413743 9.944674 -4.942229 1.7739795 6.1506314 5.2628922 -0.80959177 0.98612374 -1.7106277 0.8766289 -0.57684666 3.784497 6.905539 4.5470514 4.215436 -5.0619526 -0.9138833 -7.71804 4.9529095 1.412401 2.487006 3.9054453 7.5746746 -3.953803 6.02425 -6.5190234 -1.867337 1.3701532 -1.9003451 -0.4692098 3.4449427 4.172481 9.261481 9.589502 4.171204 -7.5316997 -0.56700146 2.5328343 -11.560527 5.6825776 8.532368 0.63668126 4.4595146 9.605748 -6.546176 -3.2771711 3.094287 5.9845095 -1.8467958 4.588911 2.6447265 12.988085 -0.88484067 -6.932123 1.7727416 0.9669055 4.8808303 10.10035 -13.2652025 -5.992219 10.039145 -7.3325467 2.0500855 4.0274544 -0.8356385 -5.6993117 2.5938075 -5.134279 4.2305474 6.470542 9.406038 13.345641 -0.0086430535 -9.281497 1.6046965 -5.351808 -6.4512677 6.3535004 0.98167276 6.2253914 8.432824 -3.7533517 6.6164904 3.6876276 6.685177 -0.4518787 0.34645548 -2.3497686 -0.86268646 12.20233 4.7146826 -11.400993 -11.354698 1.1806153 0.043309733 -4.8432455 1.5363978 6.4915433 4.3957925 -1.7786245 0.42989957 4.546354 7.936921 3.436933 10.860473 -2.8779666 0.04011193 -1.49832 2.2203765 1.0283961 6.5577374 5.1463876 1.0611706 -7.311827 -0.9807538 3.4576304 4.4630413 1.2382885 -7.983088 0.96566653 0.4093983 0.112428 0.75411 -3.0885773 -0.04479614 4.3878555 -8.94315 1.3223821 -2.0527034 -7.78547 -1.3979199 8.316083 -3.6434815 -3.2569804 5.2317877 -5.15773 5.066748 -15.78991 1.4786801 -4.245667 1.5673087 -5.7898736 6.6459694 -0.60150075 1.3701626 -5.7445235 -3.2724137 -0.4346701 0.5518073 9.953168 1.1647604 -3.9191685 1.6669776 -0.94714284 -3.7257354 1.9906785 -1.9143828 3.3130884 2.5641775 2.7096672 -2.5442111 -3.9897406 5.979039 6.190488 -1.3723514 -1.7365993 2.1976087 1.2393101 -2.9434278 5.5955133 -7.576229 -6.7711377 -4.3845263 0.5269293 -6.2781734 -0.17652366 -3.3317714 4.293993 -0.4719166 1.6776692 -6.682151 6.542782 -3.2016807 -5.688541 -2.5429275 2.1754866 2.844908 0.9526252 10.342239 -4.279599 -4.6180882 5.1605744 -4.321671 -5.403677 -1.2544996 -1.8263574 -3.765809 7.5710425 2.0334117 1.116671 0.20871367 6.371294 5.243675 7.4855657 1.3072585 5.0760713 0.4029561 2.8402832 -6.965472 5.6578455 -0.93523294 5.5297265 5.4414706

(1S,2S,3R,5S)-3,5-diaminocyclohexane-1,2-diol is an aminodiol that is cyclohexane-1,2-diol substituted at positions 3 and 5 by amino groups (the 1S,2S,3R,5S-diastereomer) It is a diamine and an aminodiol. It is a conjugate base of a (1S,2S,3R,5S)-3,5-diammoniocyclohexane-1,2-diol.

1.9516256 3.5674262 -1.2894049 0.8027347 -0.14366443 -4.680358 -2.9157045 -0.09769356 1.2794931 2.5227966 -0.24360348 -2.3165221 -3.2165568 2.6170936 -0.4055375 2.0979774 2.5085235 -1.5987717 -7.6841984 3.895935 -2.2460282 -4.5376825 -3.1310318 -0.9264704 -3.239903 2.0913675 -0.35500437 2.8757095 0.4285859 -1.0899824 0.8600939 0.4237948 1.3874296 4.0386095 6.314119 -1.3206639 -3.098712 1.8647243 -0.7431238 -0.78362143 -4.722562 1.2226115 1.6746747 1.5693866 -1.602543 0.14490107 -0.25247437 1.1500753 -1.1962699 4.8794518 1.2333748 -2.6447372 2.341777 -0.9060186 2.5562224 0.89683527 -1.5477574 2.780888 -2.2238665 -1.9492223 1.4882104 -1.4072013 1.0106564 4.405331 -2.5301342 -1.1663095 0.70343393 3.0336757 -1.4910156 -1.7339852 0.18205336 3.2325275 -4.049986 -0.10459772 0.83133036 -2.1905675 -3.1955457 4.2970514 1.6367285 1.8142474 -3.388215 -2.7832975 -0.89583886 2.807057 1.2353814 -2.5316975 2.411176 -0.97860986 4.404359 -2.1268897 0.43504512 -0.80936897 -1.7750082 0.92468154 -1.8905237 0.19061127 1.080105 -0.84785783 -0.4517518 -1.8398377 3.5340648 -0.676038 -3.7276227 -0.033385158 5.2288046 0.57472616 -0.81726635 -0.10537484 -1.0757537 2.2126274 -2.9354377 0.26766527 2.353336 -0.07813752 6.125816 -4.2898545 0.5098933 1.8782696 3.267823 2.2155607 1.2916639 -0.55938196 -5.5889754 -0.27165556 1.368022 -4.316688 5.643354 1.8331527 -4.528601 1.828033 1.5662346 1.5270239 -4.133534 4.3029056 6.710742 -0.023920637 2.7115014 -0.30865142 2.3626423 3.4588375 -0.5089083 -0.2831935 0.88173693 0.75028014 4.6372204 0.79375005 -4.202033 6.57449 -3.7698972 1.4703655 3.1278577 1.7436442 -1.4120519 -0.56331503 -0.70829314 1.5923141 6.9730396 2.4017768 3.298577 -1.875592 -4.990547 -1.4908185 -3.6152 0.3066792 -0.9605676 -1.8717924 7.9222026 2.452589 -2.6884332 -1.8353921 1.222323 1.7058116 2.3181982 -1.1485833 0.36650497 0.8193375 2.305968 3.2164931 -0.16297427 0.5706635 -2.8340437 0.51612854 -2.6347005 -0.8147131 1.6819696 -0.8275776 2.4305828 -4.8346663 1.8095063 -0.52880967 2.3659294 1.8636706 0.90444165 0.18253589 -1.0519141 3.8350294 -0.0406083 0.55163056 0.59922224 1.2063687 1.0464936 -1.1572204 2.3949125 2.0720284 3.0861702 0.80516833 -0.27880532 -0.19974726 0.38130236 2.6082675 1.5155592 0.92795604 -2.560072 0.21045756 -0.41834563 3.1027124 0.97510433 -0.63427544 -0.71932465 -1.9402514 0.20082465 -3.1464064 0.19594058 2.7632613 -1.4184805 -4.217032 -4.3824477 -1.8281226 0.7856821 0.80485994 0.55642056 0.20578781 1.1982417 2.5327098 -0.8997295 2.1961396 3.6050317 0.35590982 -0.9821507 -1.765048 -2.1800857 -2.113623 -1.0176907 2.035122 0.43429038 -0.39428824 -0.5016829 -0.5869505 -0.06973263 -1.7168372 1.2629815 0.29272825 -1.4432993 2.625401 2.2289054 3.4114163 0.6367991 -5.758422 -0.098373525 1.1095699 -2.6305287 -0.32626346 -0.84803575 -0.29055372 0.4799648 -1.9167742 2.812045 1.2320719 2.7277153 1.1708058 -0.73656696 0.982323 -0.15938665 -1.6911453 4.171613 1.873832 0.54269975 -3.2156227 0.4790166 0.9846259 1.3238342 -3.6820445 1.7791958 -0.16601722 0.92992735 -5.3366704 -2.369722 -0.6320541 1.633806 0.3100294 -0.040957958 -4.595133 5.6503444 -0.10073405 -0.031104833 -5.6105103 0.9882877 -0.5437468 0.5574402 1.3194282

Lactaldehyde is a member of the class of propanals obtained by the reduction of the carboxylic group of lactic acid (2-hydroxypropanoic acid). It has a role as a mouse metabolite. It is a hydroxyaldehyde and a member of propanals.

-0.43779147 1.8548906 -0.83699834 -0.53234106 -1.9968737 -1.7674937 -0.91884625 0.24321786 -1.5815861 0.86676943 2.0806816 -1.9174047 0.21992573 1.872519 -0.0030630976 -0.52566695 0.52491874 -0.17618544 -3.473704 0.9338923 -1.6465576 -1.29156 -0.7691352 -0.60730374 -2.060913 -0.18285203 0.6253702 2.3150399 -0.5960322 -1.052291 0.30491108 -1.0936385 -0.81067526 1.5687487 2.8833652 2.3448918 0.1748901 0.08435592 -0.7898092 0.83667815 -0.03290467 -0.6963508 -0.49940252 -0.52445966 -1.3927417 0.48183048 1.0365678 -0.04897958 -0.44053477 1.3109273 1.8620862 0.3993873 0.73728555 0.35460284 0.3774907 0.5741931 -0.017358258 0.30551976 -0.30289066 -0.73364145 -0.02569832 -1.4263568 0.9547062 2.0532126 -1.064349 0.75421494 1.6784534 1.0339313 0.30526978 -1.3721049 0.7506486 1.6756685 -1.0858781 -0.17728233 -0.51422906 0.011533931 -1.3162417 1.3470047 0.60502595 2.0725555 -1.2605855 -0.5570975 0.22004983 1.2971803 0.3434016 -1.5969361 -0.019048698 -0.35430306 2.0722659 -0.6487861 -0.55774605 -0.6561092 0.11334996 0.23223774 -0.2665909 1.4467254 -0.12921771 0.3738359 -0.8799132 -0.025790527 0.8541823 -0.65374714 -0.999097 -1.1006606 -0.07733634 -0.31278604 -1.4374652 0.952304 0.21904336 -0.25035727 -1.6333871 -1.6301156 -1.6233611 -0.45728666 0.1230793 -0.16183415 -0.9394913 1.411669 0.56085896 1.3104912 0.70117974 0.7066774 -0.42769957 0.092582814 0.3355075 -1.8615406 1.9577472 2.0290468 -1.0783498 -0.215661 1.6282545 0.052209213 -1.381715 -0.07093902 0.696702 -0.9890631 -0.105580136 -0.1810056 2.0992544 0.31581962 -0.186575 -0.19647421 -0.29180652 1.4459584 1.3882314 -2.1861134 -0.6180811 0.89358896 -0.6199399 -0.7936586 -0.049076445 -0.6404386 -2.5029614 0.774364 0.9750844 -0.3929149 0.33364654 0.7100968 1.1110709 -0.7647291 -1.0359488 1.5011842 0.50066006 -1.221161 0.69660753 0.1979662 1.263365 0.62380624 -0.116362736 -0.43555948 -0.69377565 2.5933628 -0.017619923 -0.3519863 -0.9757818 -0.12274693 1.7394226 1.1409296 -1.090415 -1.9811878 0.0143279135 -0.19468337 -1.6836879 0.42709857 0.7283578 0.09600898 -0.5856281 0.017321587 0.94791913 0.72807765 1.0325394 1.8203952 0.88587165 -1.0603709 0.602262 0.5395831 1.1597366 0.32185334 0.40039068 0.2545305 0.08896299 0.58630073 0.716182 0.61459494 0.83057034 0.57266223 0.14326653 -0.06432532 1.5541537 -0.10448478 0.9696269 -0.18870166 0.20917453 -0.3849048 -0.28210065 -0.17948072 0.63051134 -0.15854982 0.45141202 -0.5380173 -0.64149874 0.40063015 -0.31204903 0.52239245 -1.0612354 0.5531882 -0.9202987 0.35583743 -1.4440113 1.4195822 0.28614885 0.6718799 -0.059624977 -0.14959057 1.6581068 -1.1370666 0.08777252 -0.83126456 -0.98873353 -1.509207 -1.2987765 0.106734425 0.81738615 -0.47606617 1.1650622 0.77254057 -1.4742801 0.13027269 -0.96403 0.8488014 1.1914936 0.44587097 0.4487161 1.3651311 0.2889163 -1.0391098 1.0464103 -0.04619319 -0.05517487 0.9218575 0.42322144 -0.60913235 -0.80615866 -0.45023522 -0.553256 0.9440415 1.8968502 0.12500857 1.3899221 -0.20538989 0.17025596 -0.9938536 -1.3176916 -0.01631324 1.1777611 1.1892236 0.9117786 0.7142512 0.77357745 -0.42440525 -2.0422332 0.8640149 -0.7457372 1.611723 1.9819943 0.110172786 -1.077848 0.31908405 1.4121537 1.2308635 0.86737794 -0.06967452 1.7067691 -1.7872647 -0.94931084 -0.95421296 -1.2576368 0.04408049 0.5950597 0.011724114

(R)-imazamox is the (R)-enantiomer of 5-(methoxymethyl)-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid. It is a conjugate acid of a (R)-imazamox(1-). It is an enantiomer of a (S)-imazamox.

-2.0500965 4.6903157 -3.3672976 -3.7300553 -2.5947967 -2.0390615 -5.8182974 1.9396574 1.7537683 0.44137353 3.4553173 -6.797434 1.3882227 9.480307 2.2542112 -2.1180785 2.962644 0.44903526 -9.408361 2.989241 -3.8176217 -4.5643997 -1.2006907 -3.7360249 -4.87 -1.5407941 -1.4899833 6.6647367 -3.2990859 -6.2109833 1.6591766 -1.4639392 0.96650434 6.9058533 4.1030607 5.2037864 0.95895773 2.193054 -1.996654 -0.07714 -1.2903872 2.4451454 0.8238966 -7.0661 -3.8245745 -3.563959 4.914201 -0.06750712 0.18610834 3.1404703 6.3998623 -2.5217314 2.9173925 4.9386053 -0.98990107 0.271718 1.3975203 -3.0032625 -2.4870625 -2.0880868 -0.8818037 -4.49103 -0.9639503 6.263298 -4.377385 -0.6814126 2.8560498 4.872408 -0.43778616 2.0565412 -2.8325882 2.3392835 -5.86691 -3.722727 -2.232224 -0.092842154 -4.0807686 6.3444777 5.639489 9.691592 1.6205909 -1.1100469 1.8912203 4.8836575 -0.22798963 -0.25421622 1.2307345 -0.41853875 7.8446245 -3.6234472 -5.2519817 -2.5777905 -0.33676988 -0.1759281 0.28877077 4.909316 2.3689547 2.4657028 -3.9722595 0.17328277 -1.6658409 -6.306541 -3.8011174 -1.7647498 3.6135619 -0.4801322 1.9168774 -4.28169 -3.1889539 4.889491 -1.7156844 -3.4220734 -5.772294 -3.3379104 4.71587 -0.8707772 2.9941564 0.8659041 3.236337 5.9957857 3.7780788 -1.5869007 -7.089224 -0.3381509 6.5230317 -6.9680104 10.033709 3.0218306 2.140315 2.6177475 6.1859646 -0.58674234 -7.828099 2.7876036 8.366079 3.3779287 -0.34247565 -0.148341 8.131631 8.417637 -3.4718409 -0.8480644 -5.5670533 1.2758622 5.0219398 -8.96266 -4.567426 3.0031047 -5.970058 0.59945804 2.482529 -1.1260864 -12.456518 2.362046 0.89140207 -3.0978897 5.8914733 3.4878035 3.294699 -7.511658 -1.3166686 0.14584215 -5.385599 -1.9692523 1.2865381 -5.0516615 9.234645 3.203157 -3.5172362 -2.4386418 0.43145162 0.93850625 5.1740084 -1.0986348 -0.2690276 -5.011273 2.9418921 4.0211287 -1.9787701 -0.021454766 2.7567017 -2.2887735 -2.4102364 -1.5609386 5.3499365 -2.0913856 -5.801517 8.334451 0.15420425 1.5206428 8.231565 2.5106194 -0.71452886 -4.4952316 -0.23141775 -3.7570143 2.085216 -1.5829862 0.9069534 -0.52584386 -0.19102739 -2.471033 0.86655533 6.63259 -3.569321 3.7786443 4.1575327 -2.8031244 5.8741026 4.154496 0.9852643 4.6729937 2.3390927 2.0489502 5.408934 1.7882115 -1.9655442 4.906625 0.45174283 0.7084832 2.757214 -10.308157 -6.830524 -0.99960715 -8.295793 -1.7280172 4.846468 -1.769684 0.6010451 -3.2452464 0.29953796 8.196877 -0.5219561 -5.0817785 2.1747162 1.1655742 2.5516603 0.59199953 2.6562052 -1.126788 -0.071738444 -1.6437335 -3.4201028 1.4560398 0.73944145 -4.208971 4.244243 2.9310465 -2.9262683 -2.4274166 4.672518 1.3953252 1.9529657 -2.2006314 -3.911341 1.8126693 2.8455555 -3.8843715 2.7531416 -4.053177 -1.3968812 -2.409623 -6.819038 3.910076 -3.5655515 -0.39345658 0.30672026 0.6568378 1.0524952 1.3475698 3.1481059 -1.7440629 0.52137554 8.458662 9.017327 -4.224634 3.9419594 3.7202866 -1.5466714 -3.0276039 -5.5378084 -3.1938288 -2.5169585 5.8146954 5.8664904 -2.6944504 -1.2603325 0.8501918 3.4755783 -1.6831849 4.999616 0.9806212 7.711327 -3.7930245 -1.164992 -6.800399 0.86001575 0.53610194 -0.11924644 5.2210155

Chlorfenapyr is a member of the class of pyrroles that is 4-bromo-1H-pyrrole-3-carbonitrile which is substituted at positions 1, 2 and 5 by ethoxymethyl, p-chlorophenyl and trifluoromethyl groups, respectively. A proinsecticide used for termite control and crop protection against several insects and mite pests. It has a role as a proinsecticide and a proacaricide. It is an organofluorine acaricide, an organochlorine acaricide, an organochlorine insecticide, an organofluorine insecticide, a member of monochlorobenzenes, a nitrile, a member of pyrroles and a hemiaminal ether. It derives from a tralopyril.

-2.4651775 4.920227 -3.8698826 -1.2182461 1.7493734 -2.0415826 -11.787553 -0.27886632 -4.158204 2.0657008 7.0470767 -5.688256 -0.43604556 10.36485 -2.2117095 -0.262758 6.5054245 -0.006158456 -14.696069 5.888624 -7.1459703 1.7772866 1.3514078 -7.6094804 -3.5466592 -1.6091948 -2.1426587 7.136975 0.20719203 -2.9391363 -2.2773142 1.0524751 4.3936415 6.9472923 1.3264632 3.4538558 6.5130105 1.7591884 0.78781486 -3.669286 -3.0683708 -2.5011373 -1.380168 -5.747092 -5.8818855 -3.445798 8.148901 -5.9089217 0.06217368 0.338183 7.5798655 3.9682477 5.0983677 3.6426015 -3.6495938 1.2684165 -1.3924187 -7.7447352 -5.7489934 -3.4174266 -0.26016402 -0.27831012 0.116186894 3.283043 1.5748665 3.1889446 2.3648667 -0.34711158 0.17761119 5.700702 -0.08543846 4.2790422 -0.04395406 0.8256444 -5.6517878 -0.95183563 -0.13369994 5.1658697 11.370828 3.7324858 4.365031 -3.3713799 -0.7376331 2.2326465 -0.28749767 -3.8513317 3.4573593 0.9648327 13.0278015 -1.5514791 -5.3936152 -11.035749 2.1399791 -0.98599076 0.18725953 3.8923268 2.5427933 -1.4337223 -3.1210303 5.831097 3.8618119 -1.8075358 -3.0020146 -2.779638 -1.9372107 5.0710316 2.9250298 2.3834977 -0.44485164 6.5499945 -4.8238134 -3.1580179 -3.141676 -5.1301947 2.5095532 -3.3787415 -2.7837706 2.5239968 1.9670609 4.3533216 4.839778 -7.28623 -7.0518045 -1.8787128 3.4924154 -6.54773 8.510266 6.8459415 1.0215089 5.4019704 6.665493 -6.2299724 -11.662748 6.5344934 9.370239 5.2516756 0.3470823 -4.16341 3.262513 4.1609745 -1.1495918 2.652527 4.099248 5.3262777 10.165919 -10.732307 -6.76213 8.53702 -7.98978 1.6407701 4.736751 -6.2266655 -7.102133 4.4893427 -1.6955757 -1.1123236 4.666895 5.1171083 -1.0593864 -3.1857333 0.49758267 -1.6372911 -5.601356 -0.5441062 1.8643404 -5.665837 12.897919 2.9305124 -2.5419576 -2.2680664 -2.007224 -0.034389347 10.554409 -5.1806884 7.882941 -7.456225 8.380465 -2.580519 -6.0956264 1.3736603 8.457033 1.7390504 -1.2908287 -4.0732126 6.996729 0.4851315 -8.342125 3.4839678 1.7151003 1.8464231 12.105835 1.3726242 -1.6488385 -6.0916185 -3.6945353 -2.078465 1.2929347 -2.8873465 -0.58876675 2.015845 4.572755 -5.1439056 2.1940556 0.5080515 1.1821982 1.6772981 -4.3582377 -3.9847074 5.4725556 1.8730767 -5.956723 8.971635 3.7476563 4.123179 9.112514 3.3729663 -3.7731855 5.8021526 -3.4558601 -0.3204525 6.192993 -9.742401 -6.009511 -5.0962453 -7.7763577 1.3118358 4.431728 -6.6305404 4.308397 -2.6984766 4.2276506 12.08781 2.8832035 -1.7049413 -1.6129981 2.3782437 -1.8465698 3.849715 1.1786156 0.617771 2.6736355 -6.9403996 -2.1543798 5.4063 -0.62502337 -1.4197681 9.106109 1.9673822 -7.6566563 3.4159536 2.1461306 6.6095386 11.893342 -1.793548 -7.1738415 -0.32263187 3.9962037 -8.374585 2.2554789 -6.746298 -2.16583 1.173043 -5.7144556 0.7423167 -5.260003 -3.667566 0.8494508 0.90170014 2.6802735 2.2126303 5.166545 -3.4288278 4.358004 10.001488 16.49558 -4.1120067 3.1707835 5.6789722 -1.5171454 -2.893128 -10.343105 -7.2107463 -11.9848385 5.070421 4.01177 0.43631232 0.2498626 -7.047471 1.469256 2.078456 3.7963295 6.1451983 8.926333 -5.6884727 7.1509247 -6.2956166 1.1185771 9.043999 2.6288886 4.2295012

Propanal is an aldehyde that consists of ethane bearing a formyl substituent. The parent of the class of propanals. It has a role as an Escherichia coli metabolite. It is an alpha-CH2-containing aldehyde and a member of propanals.

-0.13414912 1.4739381 -0.3462237 0.016525507 -0.577281 -0.61683816 -0.8996151 0.22707912 -2.3592286 1.9121152 2.483257 -1.2809376 0.6232658 1.3167858 0.30334622 -0.98195666 1.2476292 0.5409982 -2.49916 0.52652776 -0.7257021 -0.60713136 0.012850404 -0.22788903 -1.1714742 0.2823622 0.14518529 1.7321966 -0.15729459 -1.5043137 -0.03180839 -1.1903125 -0.71865076 1.3524754 2.41948 1.6096237 0.14130053 1.0452393 0.16983908 0.88838696 -0.13334103 -1.0325416 -0.056697343 -0.4282485 -1.1835828 0.9253154 0.81434304 -0.16096023 -0.16241351 1.0410823 1.3337142 0.17399782 1.1466545 0.3245734 0.2646915 0.09913617 -0.80589414 -0.5546437 -0.7453382 -0.39336598 -0.15551823 -0.6956428 0.36382502 1.5301362 0.012793973 0.48657975 0.63519216 0.34607035 1.1045566 -1.4358077 0.49331242 0.17865653 -0.5421346 0.06122359 0.17605452 0.10086371 -0.38306257 0.72240543 0.28495455 0.34527922 -0.41030967 -0.1099437 0.24827427 1.1932507 0.1534932 0.014333414 -0.056831717 -0.84776074 0.90202284 -0.93114746 0.4121168 1.2916307 0.8978493 -0.09370842 -0.4907912 0.20439729 0.035658583 0.24763614 0.6883917 -0.42481476 0.5988772 -0.15744357 -0.73161143 0.20798008 -0.9712511 0.5390434 -0.028000258 0.019220453 0.17434707 0.67564553 -1.3784082 -0.761058 -2.0065236 -1.0046673 -0.26874346 0.38861865 -0.20810911 1.3000634 0.45806205 0.83856976 1.1847948 0.24206018 0.20179585 -0.32445884 1.0549614 -2.3271985 1.9870042 1.3222188 -0.37037885 0.8771428 1.4349394 -0.43324575 -1.4654607 0.7628384 0.6730821 -0.07896978 1.1390196 0.07565564 2.0033348 1.2715575 -0.31287763 -0.1739724 -0.11250158 1.0852258 0.9098759 -1.0823237 -0.29420725 1.1530713 -1.2720866 -0.30768657 -0.03722936 -0.37272292 -2.3671174 0.16102555 0.012560055 -0.43421704 0.61176276 0.57423395 1.8714833 -0.8313768 -1.5279222 1.5111086 -0.56730396 -0.7477393 1.3459985 -0.115884066 0.14778651 1.4401401 -1.0786469 -0.048472814 0.33742407 1.9457343 -0.049948245 0.64486873 -0.4039449 -0.20753968 1.5399987 0.642406 -0.35613257 -0.93674564 0.14643888 0.42090577 -0.6739001 0.09472182 0.9755626 -0.5251827 -0.963935 0.13440791 0.29357365 0.12605557 0.23462924 1.4855322 0.6002492 0.1300303 0.24258403 0.61132157 1.0837369 0.37190855 0.5827376 0.69789356 -0.27914143 -0.33847144 0.49985737 0.53422856 0.10176198 0.30249926 0.15071435 -0.09791443 0.61181927 0.085695505 -0.5025421 0.6801274 1.5466361 -1.3241152 0.38945922 -0.67479944 0.4842921 -0.8866075 0.17947772 -0.64130366 -0.70765257 1.1479261 -0.92073274 0.90993166 -1.3053025 0.74930906 -0.95420897 -0.31265333 -1.2653112 0.05781527 0.14246774 -0.2428921 0.0450619 -0.8121144 0.75876683 0.39711693 0.80451024 -1.2255325 -0.80600953 -0.9505671 -0.96426976 0.08101686 0.8281382 -0.38477528 -0.24164294 0.33760932 -0.24694541 0.49564415 -0.77820194 1.244894 1.0225677 0.45395702 0.02404014 0.70390296 0.90799534 -1.0947025 1.2250744 0.081226096 -0.78840864 -0.42059934 0.55971986 -0.57843876 -1.5699291 -1.383096 -0.21843415 0.47712365 1.2271414 -0.31242096 1.6242876 0.42004427 -0.6037681 -1.1450324 -0.12528121 0.04796139 -0.24486527 0.6948186 0.5047431 0.682299 1.4491137 -0.5215471 -1.6360793 0.62007976 -0.40012035 0.98103774 1.3856573 0.40252233 0.1719964 -0.6520417 1.2821136 1.4564197 0.44523156 0.10549518 0.89215314 -0.6395534 -0.21248928 -0.09345114 -0.38708565 0.27926058 0.17090663 0.21255112

Pseudobaptigenin is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone and in which the phenyl group at position 3 is replaced by a 1,3-benzodioxol-5-yl group. It has a role as an antiprotozoal drug and a plant metabolite. It is a member of benzodioxoles and a member of 7-hydroxyisoflavones. It is a conjugate acid of a pseudobaptigenin(1-).

-1.9618239 2.7888734 -2.4177494 -2.3332472 1.099613 -8.166093 -7.161142 3.61281 -1.2713064 1.1610157 6.2390714 -8.005944 -0.69414705 10.294741 5.8339767 -1.5362929 4.5565443 1.4475247 -10.3161335 4.5653877 -3.1706154 -6.2199473 -2.77146 -4.859502 1.5379894 -0.8890102 -2.8252769 7.7575064 -1.5798812 -2.9520583 1.0961807 -1.6415359 4.9488688 2.411283 0.7753783 3.7384593 0.4198825 3.1364696 -0.45636898 -3.0256197 -2.2888443 2.7542894 1.6350368 -5.3394284 3.214833 -4.318788 8.552969 -4.859129 0.29937497 5.220616 6.4456506 -0.9192817 4.767578 4.32128 -2.0385008 1.4785599 -6.7253113 -4.993879 -3.952881 0.040006768 -0.98681235 -2.280287 -3.4750938 1.9393275 -1.084666 0.7961201 1.8225789 1.5905452 -1.1355884 3.6053393 1.457175 -1.5903969 1.2852685 0.9596944 -1.5141654 -3.2782364 -6.8081946 11.7441845 7.943921 5.96285 1.487198 -4.2293105 2.2242916 0.3469218 0.2641456 -1.0516386 1.5637102 -4.0041814 10.407299 -4.52887 -2.2691011 -7.236612 -1.9217887 -1.3725536 -0.31486467 0.5458769 0.4816445 0.55262566 -4.9053407 0.23049267 -2.4884224 -7.885352 -7.253776 -3.937371 7.0315065 2.5558164 0.33584362 -5.360389 3.3305724 -0.09132525 -3.8668253 -1.6702614 -3.0072992 -0.5032377 8.987354 -5.166814 0.71201473 -0.79224014 3.749679 7.8511763 3.3863544 -0.27407184 -4.25872 -0.558457 8.778275 -7.9796667 4.993922 7.374446 -2.7815893 1.7987972 2.8914902 2.1099193 -6.730012 1.0814282 10.246089 5.850795 -0.9701983 -5.0433555 1.206087 7.475795 -1.5766051 -1.3014195 -0.66098857 5.754941 8.374288 -5.605916 -0.31595513 -0.2152499 -7.747605 -0.7107561 8.083193 -3.3744159 -12.355915 2.0950735 -2.5685275 0.69906366 5.3788977 -0.96902204 -0.08964805 -8.605905 -2.0522296 -0.15605181 -1.8650498 -4.3161187 8.342771 -2.5461998 10.114606 3.7331662 -2.1644168 -5.389813 -0.26876137 1.7097872 6.904643 -2.4018297 0.5866767 -1.7041581 3.7298324 0.99562913 -4.0998926 3.9659667 3.8875995 -1.0125741 -9.060573 -3.3084388 3.1832175 0.14558232 -4.9396715 2.9276516 -0.5135152 0.79641855 6.6347117 -3.959829 0.014647499 1.2850599 -6.2225204 -2.9559393 5.7789683 -0.87148476 -2.395098 -1.3076863 1.4065816 -8.663722 1.3175838 3.6525304 0.8317065 1.0260403 -1.0805361 -2.1200192 4.889829 1.9630775 -0.7324362 5.6233673 1.9989774 -1.3145669 5.407736 2.9305108 -0.34307387 2.753278 -4.299048 -3.3196497 3.3734121 -9.125529 -7.4616594 -5.1971416 -4.9198565 -1.2301809 7.9261084 -3.6454287 2.4723964 -4.666771 2.9343746 7.5923553 5.3515587 -1.8938496 -3.6597557 -0.307154 -3.5178988 2.905963 -0.43244302 -3.0416236 0.58672637 -8.511982 -7.940027 1.3638312 1.0528824 -3.6051667 4.8004737 0.7054547 -6.2568283 0.43183333 2.9372938 6.6988034 4.8339467 0.58840376 -4.9928937 -0.29443008 4.183486 -4.8064394 -0.030515298 -8.95303 -1.430307 -5.4997764 -4.747991 6.2254496 -9.052535 -0.7103273 -3.6557522 0.86011565 0.056207053 6.1409826 2.692143 -3.3123987 0.36162257 8.967743 11.745599 -3.7844334 3.2954917 5.351293 -0.5219285 -0.48721832 -10.256316 -6.5401716 -4.787431 9.350559 4.1587343 -5.030335 2.4108381 -0.94543004 8.177101 1.4706955 0.54908043 1.6957241 7.7137313 -2.3432171 3.2912552 -5.923532 1.8831625 -2.4592354 0.71408993 6.0209026

N-acetyl-L-alaninate is a monocarboxylic acid anion that is the conjugate base of N-acetyl-L-alanine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a monocarboxylic acid anion and a N-acyl-L-alpha-amino acid anion. It is a conjugate base of a N-acetyl-L-alanine.

-0.31674236 1.0015548 0.49448365 -3.0031042 -2.1950638 -3.9498615 0.44526255 0.66904134 -0.35350642 0.5543058 2.2815363 -1.8113751 0.2680494 -1.297679 -0.85221744 -1.9224313 -1.1319523 -1.2339207 -2.0690482 1.1943581 -3.0161586 -3.041595 -1.8314712 -2.3702524 -1.2495909 -0.1919183 2.1414716 1.7246358 -0.43369213 -2.9960613 0.12883921 -2.6661675 0.06401906 2.3375802 1.9949958 1.9015095 0.11716242 1.2853129 0.51712096 3.3706505 -0.4797696 0.30846983 -0.30411288 -0.63278955 -2.2263987 0.030857194 0.41138834 0.8096626 -0.91081303 2.4519634 3.3151224 0.034224764 0.94892406 2.2090373 2.866448 -0.13079238 1.7101535 0.47331008 -0.8890833 -0.32996196 0.56996495 -0.7712818 1.9197448 1.2542788 -2.7556064 2.2628503 2.5463364 0.8269646 0.8242018 -0.28939885 0.6590983 2.2294328 -4.001338 -1.1399767 -2.6173813 -0.7156383 -3.160574 -0.7110393 0.11651331 2.0744014 -3.0771987 -2.2185996 -1.7896057 1.5108889 1.8677099 -2.238234 -0.5783715 1.8427954 1.1144185 0.90300006 -1.1258153 0.6142314 -0.93816733 2.4831314 -1.2092417 1.1860105 1.512663 -0.06395701 -1.5420058 -0.33493698 1.5087829 -0.5514802 -1.7567545 -1.4525008 -1.0480875 -1.5026505 -1.8890452 -1.3116555 -0.50545883 1.9437677 -1.814294 -1.8055958 -2.3338778 0.5337299 1.4750432 -1.137599 1.4560716 1.788872 1.076322 2.006161 1.3869109 -0.48013663 -0.49445733 -0.75012577 1.0925442 -2.5986342 4.394686 3.8160224 -0.30512738 0.9564681 2.8436897 0.96437764 -4.05346 3.0595896 1.9829725 0.14213918 -0.35192657 -0.35147536 5.6226287 0.77998686 -0.4539618 -1.2498347 -0.25793895 2.601111 3.2890985 -4.1647406 -0.19006352 1.9187362 -1.2298996 -0.46268892 -0.6233772 0.10159823 -3.0184028 0.79501194 0.92095363 -1.1000179 2.3438005 0.5989099 2.5951722 -1.0961391 -4.0294023 0.4492046 -0.95633215 -2.7470589 0.30809844 -2.9150076 3.1866689 1.994576 -3.2137032 0.7241153 0.17288436 2.7075915 0.80041 1.1853449 -0.3057031 -1.9284306 3.8255417 4.420186 -2.2330334 -4.243125 2.176886 -0.06735378 -1.7583833 2.0468383 0.75753695 0.020803727 -2.0169284 1.4141173 0.8574132 1.9461464 2.7940197 2.711423 1.0891976 -1.2602837 -0.96945435 -0.27544338 1.6302435 1.0209335 0.6123417 -0.40729544 -2.2496972 -0.5475161 0.7797954 3.0155065 -1.1105388 -0.33707708 2.4910731 1.196486 1.1883225 1.506148 -0.27329463 -1.2426605 -0.5600695 -0.21673849 1.0346684 1.573726 -2.228943 -0.74572366 0.9498173 1.2784933 0.41019708 1.486353 -2.4589934 1.2608654 -2.7051797 0.15102592 -0.34320903 1.4543445 -2.5042377 1.7671568 0.08305682 1.4631579 -3.0038123 -1.2638011 2.011223 0.5929108 1.2125587 -0.5989076 -1.1745915 0.32057917 1.8976823 1.3900234 -0.21288201 -1.0906544 1.010932 -1.297709 -0.19526438 0.7392008 -1.7500359 0.24106425 2.5702329 1.3540808 0.07182735 1.5581313 -1.2782735 -0.20141599 2.045341 -0.99666417 1.3761711 -0.07709359 0.7748353 -1.8072503 -0.40038392 0.06529694 -0.27780908 1.2354453 0.2642735 1.7314053 2.6425827 -1.6410185 -0.3921545 -0.3294943 2.1266239 3.0238583 2.3124418 -0.648502 1.0419036 0.55692863 -1.0723107 0.08113834 -2.4160376 0.9993474 -0.34189323 0.88523924 2.4970837 -0.59933305 0.28420517 0.1926688 1.5123457 -0.45251906 5.1670556 -0.45281965 2.712885 -2.6155584 -1.3732142 -3.6008804 -1.5983987 -0.06553478 2.5527859 0.7319397

Garciniaxanthone F is an organic heteropentacyclic compound that is 6H-furo[3,2-c]xanthen-6-one substituted by hydroxy groups at positions 7 and 10, 2-methoxypropan-2-yl group at position 2 and a 2-methylbut-3-en-2-yl group at position 8. Isolated from the woods of Garcinia subelliptica, it exhibits antioxidant activity. It has a role as a metabolite and an antioxidant. It is a cyclic ether, a polyphenol, a cyclic ketone and an organic heterotetracyclic compound.

-0.677035 0.5860658 -2.7274194 -1.6803991 -5.98469 -3.7681086 -4.7951055 4.9541106 0.2371494 5.0642586 9.867999 -6.6840773 2.2231536 16.656452 7.660758 -2.079911 15.965808 -0.7616322 -17.666374 4.003524 -7.120998 -7.0657115 2.0938308 -7.5274696 -3.1250186 -4.0692387 0.63932955 15.202012 -5.4634953 -3.1904137 -0.9626477 -0.2353633 6.737149 9.418174 4.19627 6.6310444 4.539646 2.601538 0.38247338 -0.89182603 0.69613695 0.22885828 -1.172893 -11.118026 2.7492166 -2.3401828 11.852497 -6.245851 2.978527 8.380966 7.371395 0.046048462 7.2924085 5.9794145 0.3171174 7.397553 -6.865181 -5.2909727 -3.4700403 -4.006786 0.9994654 -4.938968 -0.47705114 6.835613 0.17120382 -2.3359227 4.1553226 3.2449646 3.1083026 3.2700255 2.2727447 -1.1280382 -4.192956 3.8145852 -1.8166935 -1.8729438 -8.600985 12.117988 11.771809 8.261784 -1.1880165 -3.2307625 3.0008988 2.579661 1.7836616 -1.3177478 -0.4599105 -2.4101465 11.92838 -4.815483 -3.2824955 -6.727745 1.7202936 1.2530788 2.619198 3.3540356 4.169218 2.71701 -1.6449805 2.0927923 0.31145126 -6.5228395 -4.6213045 -1.4411119 3.1967177 2.7533956 -0.65041864 -1.24315 6.1627903 1.4045701 -8.194983 -2.7850735 -7.4884095 -2.6452348 3.474914 -3.2897177 -2.3410642 -3.2431972 5.5294433 9.735072 4.4995413 0.12496882 -3.9355354 -4.6467795 6.477552 -9.894728 6.159525 5.875902 -5.964767 7.6814036 3.6884432 -2.3150947 -11.706224 2.4378686 11.135889 4.655432 -3.7544696 -2.4320118 5.243472 10.961829 -7.8359146 -5.64779 -1.2030153 9.522382 13.533856 -10.530757 -3.3486738 3.9350848 -11.179371 -0.36693388 6.3242455 -5.436885 -18.726034 7.8247557 -3.9259145 2.0195575 2.607953 5.030708 2.3985257 -8.889643 -1.3862619 3.1235027 -3.5040383 -7.2123437 7.304981 -1.4384409 12.192117 9.679391 -4.129949 -6.046566 1.9288579 7.2743216 4.5590672 -3.4873164 2.93987 -2.8071291 8.123822 1.9459175 -3.6159928 4.9978666 7.8952293 -5.198289 -6.271739 -1.7527503 4.2825212 -2.9620512 -9.696966 5.223389 1.3605484 0.8696423 6.2505813 -0.77490824 0.63536394 -0.9628953 -1.8058491 1.5989342 3.1860142 -6.1239305 -1.0498096 -0.75726354 1.0686357 -8.027425 3.796794 3.1371322 -5.8237743 0.48324403 -2.1024153 -5.1147904 6.891333 0.63964164 -0.95290625 8.925762 -0.5690354 0.5295536 4.6970444 3.0925295 -0.94046277 8.114381 -0.119116664 -0.6863129 3.361504 -8.264136 -5.617277 -2.2936387 -9.756251 -2.3186402 7.8668423 -3.162461 5.4689326 -5.6942286 6.936695 11.6225815 5.6668787 -2.6417012 -4.0512795 -1.0839859 -0.7600815 1.474441 0.339688 -6.0061364 3.4089203 -5.664204 -3.3666646 -2.7538164 2.178974 2.7830312 5.170601 -0.49358743 -5.8525105 2.7787473 1.8424637 10.224533 9.4126215 0.7826897 -6.6643605 -1.6378887 4.232306 -7.9168963 2.3750567 -6.823184 -0.57841927 -1.613967 -7.50587 2.4054356 -9.432725 0.6612567 1.0349796 0.512567 3.9036462 6.06658 5.5974994 -6.148571 0.05709295 12.330533 11.7681 -5.7714176 3.2807658 10.126535 2.9813983 -2.644426 -16.587275 -6.330278 -12.652795 8.647303 6.7759457 -6.5016627 -0.80464923 -2.2531223 10.824601 4.9449635 4.0502 1.5918939 13.592264 -4.678705 1.3036345 -7.123683 1.8830326 4.1621037 2.134134 2.3659482

Agigenin is an oxaspiro compound that is (25R)-5alpha-spirostan substituted by hydroxy groups at positions 2, 3 and 6 (the 2alpha,3beta,6beta stereoisomer). It has a role as a metabolite and an antineoplastic agent. It is an organic heterohexacyclic compound, a 3beta-hydroxy steroid, a 2alpha-hydroxy steroid and an oxaspiro compound. It derives from a hydride of a (25R)-5alpha-spirostan.

6.375477 5.032605 -1.3828766 -1.0711308 -5.236139 -7.8555326 -6.445176 -1.491891 7.1305075 10.2081 5.450611 -3.7837029 -5.3940663 12.986424 2.0679584 4.232988 14.189398 -2.97559 -17.491917 8.077205 -6.4562354 -15.770409 -12.524365 0.6144128 -12.382771 3.715907 0.28967908 16.517368 2.2137964 -6.6639905 4.6437135 0.45616287 -0.457598 8.1101265 17.817284 -2.9879937 -2.6392183 7.14587 -6.6171026 -3.8209877 -10.910887 5.289991 12.425477 -0.71352136 -0.67759985 -4.2119164 2.648002 -0.36641765 -2.3474898 10.724751 6.0896645 -9.771721 9.557224 -3.7696588 5.9966955 8.623927 -2.9812422 11.917902 -3.7266507 1.2603124 9.059233 -7.177059 -2.7140572 17.580122 -5.631958 -6.4491673 4.4193797 7.190213 4.289433 -9.755561 -7.980688 3.7136374 -9.121203 1.5319431 8.064217 -5.56549 -6.408385 12.248335 4.2301955 5.3823214 -7.709636 -2.743808 0.48242322 8.46889 1.8349928 -9.105215 8.472344 -5.8669243 13.044403 -5.471268 5.139331 -1.080325 -3.418591 1.530465 -5.32526 5.401639 0.5154285 1.0836749 -2.269344 -7.2581186 4.6213326 -9.915205 -10.985374 -0.44685072 13.098435 8.25731 -8.228435 -9.112345 -7.19772 10.296434 -10.080372 3.0508678 9.672797 -1.0229621 14.835965 -10.264173 -1.4781073 2.0615573 9.924041 7.3576455 3.4867985 4.2072067 -7.2874193 -4.1537004 10.448377 -17.80716 13.48269 5.8519883 -9.750691 10.424755 0.24530077 4.05288 -15.479033 7.923051 15.432571 3.3517587 8.088295 2.8255842 10.116893 12.08025 -5.4733477 0.5967265 1.3264107 4.5302677 2.7400577 -3.648378 -8.946404 11.06916 -9.902896 0.48389313 -2.3705273 2.710181 -8.138853 1.9018686 5.7478614 -1.1828781 12.74143 6.2742405 10.630117 -6.3917685 -13.415232 0.14653282 -9.378387 -2.8835292 -12.319015 -1.9678698 17.403572 6.7798247 -11.265451 -4.1992116 2.9607291 7.515068 2.3934197 0.41825056 -4.96621 -2.8191597 2.959686 11.209364 -1.9129436 4.4151664 -7.017293 5.4065146 -11.142445 1.674462 5.6756315 -1.1834049 -0.14482889 -4.474152 3.5795412 0.71378785 9.335342 7.196267 4.109132 -4.9016933 5.7252316 4.904922 6.326627 0.24539134 4.121747 5.695604 6.293148 4.618745 6.777081 10.727614 7.9568224 5.558411 3.2656643 -1.2592914 0.92115587 7.2421684 3.0837 -3.2019286 -9.07107 -8.800581 0.22358635 6.226984 3.6517587 -4.93169 -2.0501282 -1.1852072 4.6870522 -9.031251 -3.6582685 3.2467244 -0.46683633 -9.698477 -8.425917 1.4917195 2.5583627 5.802723 0.703303 -2.1660573 6.6398063 2.6228096 -0.043616816 3.883789 6.894289 2.4482994 -6.155031 -11.071057 -6.350858 -2.0043178 -6.267932 4.3869014 -1.8911583 -1.8466905 -0.8019175 4.6338315 -3.2505107 -8.718168 5.5236244 0.61427057 -5.043938 5.788038 3.2513065 9.937831 5.9978533 -8.741816 -1.4037316 4.1474557 -11.431686 2.4237506 -4.658376 0.094696864 -5.4272723 -6.508163 2.113069 -4.334242 9.143595 -0.02012011 -1.3952576 -1.824339 -4.4924994 2.7650301 13.720792 1.2603585 -1.2654668 -3.543588 -3.9673977 -3.5147436 -8.008343 -6.8232203 2.3390326 3.4111218 -0.8030294 -12.333298 -16.686419 -4.5966635 13.116115 4.950677 1.2286701 -7.7485003 19.58656 0.2032301 -4.419004 -16.156408 2.0772786 -4.954397 2.830312 6.134259

Naloxone is a synthetic morphinane alkaloid that is morphinone in which the enone double bond has been reduced to a single bond, the hydrogen at position 14 has been replaced by a hydroxy group, and the methyl group attached to the nitrogen has been replaced by an allyl group. A specific opioid antagonist, it is used (commonly as its hydrochloride salt) to reverse the effects of opioids, both following their use of opioids during surgery and in cases of known or suspected opioid overdose. It has a role as a mu-opioid receptor antagonist, a central nervous system depressant and an antidote to opioid poisoning. It is an organic heteropentacyclic compound, a morphinane alkaloid and a tertiary alcohol. It is a conjugate base of a naloxone(1+). It derives from a hydride of a morphinan.

4.9033165 7.2829876 -2.259036 -2.6649454 -4.3611894 -4.3313518 -7.8438473 1.2106802 -0.5876622 6.070923 7.230949 -4.966336 0.8063792 11.767689 2.6166983 0.89540654 12.449124 1.1214101 -6.980438 5.4958797 -4.012987 -3.9318087 -7.248698 -3.699355 -3.5183337 -0.9366796 0.4380324 12.714886 -3.2634888 -2.3040304 1.443939 -1.9038255 1.130954 5.4093695 6.2444935 0.1574346 1.9298968 5.465976 -3.9070413 -1.380796 -4.34005 -0.24675699 8.362475 -3.2525249 1.6333226 -3.8016977 4.237438 -5.158335 -2.0716264 2.8199267 5.2723083 -3.361466 3.4174705 1.7099994 -2.494379 6.774587 -5.0645733 2.6351786 -2.218625 -0.4988933 2.6911738 -3.932919 -5.474996 10.384415 0.430782 -3.1793864 0.5479013 2.0022979 1.7486522 0.3842949 -0.29382557 -0.55330527 -0.21667567 -0.19245343 3.872901 -2.8925347 -2.716283 12.608242 7.96972 7.6827793 -1.1661365 -3.1684086 0.5835262 5.5135093 1.3162322 -5.6100035 0.18890351 -3.8964448 12.7444725 -6.394324 1.7168163 -0.6324268 -3.1323807 1.0098591 -2.6904128 4.5033016 -3.3353877 0.61014235 -4.6864448 0.5245163 0.9990648 -8.667013 -8.728985 -0.2777234 4.2924767 4.197921 -1.6170429 -6.294265 -1.90638 3.6208994 -3.4924748 -0.08513364 0.05268112 -1.7460692 8.865313 -5.017095 -1.8802704 -1.8764572 4.236458 7.2491264 1.4880105 2.270766 -4.781367 -1.0018173 8.537067 -8.969216 6.2391624 3.3595288 -2.2061315 5.647826 1.500681 -0.45982832 -10.600844 2.1292644 10.485068 3.4778275 2.5281582 1.5094645 5.5076723 6.9354296 -3.7650933 -1.4027815 1.516014 4.0397744 3.1112797 -4.302988 -5.5027747 5.019111 -5.2113843 1.3396599 0.7510712 -1.6662412 -9.432801 2.8185468 0.10552867 -0.130036 3.460419 3.941429 3.4566185 -4.358482 -4.3450823 1.1660011 -5.611097 -4.128502 -2.138152 -2.2076018 10.093404 3.9877088 -3.5436106 -3.5788023 -2.2339854 2.0944712 3.21671 -3.2301688 -1.4062104 -0.21919943 0.9478967 3.0854034 -3.1680565 5.6620464 1.2529491 0.33597586 -7.38976 -0.98306084 6.2352753 -2.6310122 -4.3508377 2.04434 -0.5856874 2.1882055 6.2540717 1.3293707 2.014918 -1.5317608 -2.4104335 2.4980092 7.063684 -2.7335734 2.0444007 3.0791523 3.7386312 -4.1217413 3.9588366 4.449399 3.487602 2.246584 2.7000391 -3.4738512 2.5144238 4.0406294 0.46958745 1.7710811 -0.82308865 -4.6195583 3.5645556 -0.4963577 1.5734434 -3.5017035 -1.1439852 0.6967233 5.3005724 -5.391829 -3.6327088 -0.33087137 -5.4965878 -4.651578 0.72953486 -2.6239333 0.9868165 -0.68182874 2.922882 0.43569607 6.2705803 -1.7331871 0.40157923 2.029786 0.20897993 1.5714755 -2.3720102 -6.099681 -1.6282874 -6.904281 -6.3024096 -0.19756867 -2.7219782 -2.1365752 0.67470944 2.7488291 -3.1643791 -1.1155374 4.049818 5.60071 2.782601 0.435533 -0.77154803 1.0063215 4.7521763 -6.4832244 0.5778976 -3.5112782 -3.743001 -1.8248184 -4.7672563 -0.48309827 -8.502624 -3.1761405 1.4157704 -1.0852249 3.8144221 2.9974034 0.788802 -2.477442 -2.4561574 10.021239 6.970924 -2.7689266 1.0267208 4.4754467 -3.5234022 -4.6700196 -14.331513 -4.7817693 -7.430442 4.2838564 2.9257145 -7.309577 -4.780377 -0.982925 8.519145 2.8728411 0.9473875 -1.4096116 12.341514 1.7847286 -0.50546116 -7.5782037 3.272788 -3.6993399 1.8251015 6.493672

Potassium clavulanate is a potassium salt having clavulanate as the counterion. It acts as a suicide inhibitor of bacterial beta-lactamase enzymes and has only weak anitbiotic activity when administered alone. However it can be used in combination with amoxicillin trihydrate (under the trade name Augmentin) for treatment of a variety of bacterial infections, where it prevents antibiotic inactivation by microbial lactamases. It has a role as an antibacterial drug, an EC 3.5.2.6 (beta-lactamase) inhibitor and an antimicrobial agent. It contains a clavulanate.

1.8927903 4.312029 -1.0247239 -0.92139626 -2.902482 -5.400677 -2.382092 1.5586982 1.4520653 3.1299908 2.9980702 -2.8172789 -0.64485365 3.1199985 -0.7429905 -1.3369185 3.171659 1.5021691 -3.7967877 3.1758368 -1.6800485 -2.4614305 -4.503635 -2.7518466 -2.4358573 0.43295714 1.228672 4.893485 -1.421911 -2.7891371 -0.16222528 -2.552453 1.0089046 3.1788714 4.5742874 0.8283857 0.35213637 1.0640502 -1.4341816 0.9190655 -1.3799843 0.69962996 2.456838 0.060952406 -1.0355111 -0.37291345 1.2270817 -0.64555866 -0.8075836 -0.27222008 4.095842 -1.5468299 2.8703659 2.312319 0.4564488 0.42287913 -0.9550375 -1.1258415 -1.0765948 -1.07564 1.4345385 -1.2411405 -2.1872895 2.9781964 -1.0669109 -0.509088 1.5244544 2.1950107 0.49217498 -0.81137383 1.3247082 0.7265674 -1.8011858 -0.97013885 -0.05118177 -3.4818394 -4.009983 4.49937 3.348511 2.1249793 -0.844136 -3.1995583 0.5749587 2.6113534 0.7844483 -1.5289401 0.26191512 1.0523245 4.516744 -3.6448543 -0.10965274 0.65932477 -0.07634166 0.8504027 -3.8336678 1.8576121 0.4171432 -0.24486463 -0.7908219 -0.7026845 1.2468508 -3.6410482 -4.768141 -0.24199909 1.4067965 1.1477286 -0.6925963 -1.6277051 -1.0651313 3.0416489 -1.1606401 -0.018432707 -1.0104269 -2.1090174 4.2124143 -1.6246547 -1.7348479 -0.111065544 3.2294738 2.9008894 3.4916034 -0.87275493 -2.7869444 -1.1677363 3.5936196 -5.4536347 6.3068476 3.3623695 -1.2237134 3.8530483 1.9178487 -0.52825284 -4.8281417 2.976425 7.199005 1.7292175 4.0329213 1.5075122 4.446445 4.255168 -0.47878584 -0.31670082 1.4060667 2.6885343 5.322027 -2.6417065 -2.787434 5.907766 -1.3946084 0.48341742 2.2854755 -0.8587754 -5.857945 -0.69616723 0.11291772 -0.6477301 4.6028743 2.2394037 3.1554973 -1.9039608 -5.808719 0.7796747 -4.7505755 -1.6722357 -0.28914237 -3.4012082 8.494971 3.408883 -4.1760163 -0.8019963 0.6501269 1.0241144 3.365368 -0.13989013 -0.3595345 -0.31185946 2.2606885 4.130316 0.56333 3.4272404 0.026492085 0.35834157 -4.4865327 -1.65168 0.59269464 -2.6434164 -0.6202888 1.0519174 0.6925724 0.4167721 2.9408548 2.6354244 1.748439 1.2040935 -2.2009485 3.2891173 3.0643072 -0.8679621 0.7513925 1.9407845 0.5279548 -2.7304597 1.4386071 4.774185 1.4821875 0.40186328 1.6127009 -3.4885292 1.3148555 1.2930266 1.2940558 0.40937564 1.0842342 -0.8078811 1.3793724 0.39936668 0.31196472 -2.3815503 -0.30974993 -0.75106585 1.8892642 -3.2398977 -2.190942 1.7111477 -4.5194955 -3.089895 -0.48995936 -1.3450754 -0.91435575 -0.94552946 2.8116906 1.5538063 1.8771615 0.5961261 -0.12573901 -0.31509003 2.13934 -0.20560306 -1.7882569 -2.1577568 -0.2750548 -5.2321563 -4.608595 -0.61385536 1.5556321 -0.8171359 1.5201701 1.7004555 -1.5781662 -0.7390804 4.8501678 3.969684 -0.66137064 0.44224048 0.49061474 0.212597 3.1840415 -4.573208 -1.9816145 -1.5588384 0.21007079 -2.67275 -1.3928293 -0.51535666 -2.928802 -0.6958159 1.7020181 0.20577222 2.9879546 0.6209781 0.41494212 0.2699884 2.2068741 3.7350216 3.629247 2.1102147 1.7000521 -1.4330062 -2.4584696 -1.5014666 -4.610541 -0.1315288 -2.6833525 0.18613563 3.1158447 -2.734376 -2.6576414 -0.16430086 3.8749397 2.1108978 2.3873003 -1.1041166 6.177663 -1.2270857 1.3104815 -5.041022 0.9285595 -1.319705 2.9623797 2.3908088

Galactosyl-(glucosyl)2-(heptosyl)3-(KDO)2-lipid A-bisphosphate is a lipid A where the free primary hydroxy group of lipid A has a branched octasaccharide attached. It is a member of lipid As and a dodecanoate ester. It is a conjugate acid of a galactosyl-(glucosyl)2-(heptosyl)3-(KDO)2-lipid A-bisphosphate(10-).

6.6512265 68.83878 21.96284 -32.663216 5.1341205 -108.994736 -1.9056851 29.05304 25.320421 28.56095 25.639248 -54.15874 -35.27019 15.64462 8.00423 -20.813192 19.773851 -5.1852393 -140.93419 58.46021 -56.641224 -85.16258 -50.22536 -70.96012 -51.585487 39.587097 15.397258 63.84396 -19.398493 -46.798496 16.0787 -32.751354 0.6515087 61.898705 99.255486 24.738615 -33.76581 100.9698 -8.931542 25.24596 -63.945084 -7.070287 -8.760188 -14.48641 -63.211365 -5.925187 -12.680113 39.00343 -15.677282 106.40889 66.44805 3.1780877 59.04708 28.7065 77.60636 -21.938255 -1.7181331 38.328598 -21.503624 -26.3577 15.557724 -79.68304 20.09968 94.331696 -2.7028937 1.2296687 23.474072 8.150546 20.280968 -29.607204 -3.021183 18.884338 -69.196815 46.337307 -5.4093666 -14.121739 -73.42448 75.2202 3.2101138 27.299543 -68.73738 -40.45408 -15.006121 36.82941 31.41419 -20.848461 58.332924 28.890009 90.529205 -36.093365 5.6877027 15.392996 17.024042 8.699992 -7.551979 -9.804144 49.058605 -0.3107385 21.764395 9.890335 67.79452 17.790163 -79.97444 -16.644579 0.7102377 29.904278 -1.5964177 12.511065 17.819756 64.20047 -53.00396 32.989056 -19.085531 -8.921963 70.516685 -36.748867 -30.442078 35.011517 70.35057 60.702114 77.41289 30.90133 -93.35818 -18.564339 41.89931 -129.28601 96.13225 86.83703 -45.825283 58.692127 49.178898 -2.9739788 -76.33991 87.33448 125.81188 0.6689187 41.165466 0.922737 122.72441 53.20508 -54.986034 0.5963192 9.785955 41.857624 135.53195 -100.67477 -45.06267 111.371155 -78.23565 18.463633 50.057438 22.645975 -76.40834 22.230625 -18.637207 47.157356 110.26078 93.204926 135.02695 -25.748983 -109.71206 8.4618225 -67.33366 -30.35126 46.868347 -14.404572 148.58907 56.74639 -67.477844 26.99991 50.9557 82.37928 33.427567 -11.04805 -26.71211 3.2589517 120.62997 76.90435 -57.99825 -56.761906 -35.715443 6.1397276 -66.05964 12.325615 43.877434 9.597264 5.202249 -23.979033 42.890057 31.249113 42.9334 81.938255 6.5626545 18.724295 2.3169255 37.168217 26.844437 30.793655 20.79482 10.8492985 -31.568815 -9.810597 47.31211 72.10768 40.054398 -27.68298 -0.76011264 0.009736098 6.5217676 48.97964 4.13902 -14.831383 -14.469445 -44.788918 -17.71039 29.648952 -40.997074 -4.6647034 65.40014 -34.564007 -26.35944 16.662142 -22.614103 67.25805 -97.169174 -35.37169 -61.10062 25.685791 -14.237919 47.112232 7.8337617 27.407522 -13.193996 -17.825655 3.089545 2.2922843 95.00044 -0.24975716 -78.03853 -30.98675 -11.960463 -14.704581 9.868245 -19.113335 63.03035 12.000842 3.7848907 -41.104618 -26.307623 14.797327 45.628525 12.293272 -29.616411 31.102997 28.913086 24.783455 25.83645 -92.69379 -47.08531 6.854189 -24.4225 -48.757355 14.277541 -21.315872 41.34658 -20.346544 33.46516 -10.260433 67.024864 -30.110138 -11.247504 -4.078498 6.1522565 0.058961555 77.43443 102.81966 -28.621508 -58.47002 50.415695 8.135914 -11.39488 -18.63814 -8.566625 -2.4197912 72.902466 -24.233232 -17.071722 -23.88074 67.02851 19.83328 53.074577 -29.390907 102.4264 -18.461403 24.600863 -100.80814 1.2438663 -19.000284 53.97476 46.421925

L-2-aminohexanoic acid zwitterion is an L-alpha-amino acid zwitterion obtained from L-2-aminohexanoic acid by transfer of a proton from the carboxy group to the amino group. It is the major species at pH 7.3. It is a tautomer of a L-norleucine.

1.1396314 0.98305285 1.7943772 -2.7879384 -0.38630265 -3.120579 -0.8447672 1.6602814 -2.2629678 1.6459156 3.7241087 -3.847583 0.13986495 -1.5794356 -1.7547671 -2.0001886 -2.6261404 0.49326545 -1.8532379 -0.12367559 -4.2540917 -2.8519022 -1.833606 -3.787633 -0.29359305 2.0828643 0.9444842 1.2326639 -1.0187516 -2.8374796 -0.41367385 -3.5947533 -0.64575857 2.1391091 2.2965946 1.4043748 -0.7719052 2.4884648 0.5225923 3.8821423 -1.5768245 -3.800007 -0.11046101 -0.42110443 -2.4672227 1.3839407 0.08478522 0.83965063 -1.1047096 2.2224526 3.8338668 0.32380316 1.7354951 2.0482152 1.4445467 -1.1942428 1.9870619 -1.1939209 -1.16786 0.027301729 -0.15232757 -2.2764466 1.144897 2.8170142 -0.06716144 1.5985159 0.704466 -1.1601202 1.1325917 -0.3981734 0.23135084 0.5300102 -2.206852 -0.2816223 -2.046497 0.19342522 -1.2373905 0.52349246 -0.48011708 1.6444377 -2.0553281 -1.6676424 -0.15687777 1.9394467 1.1070894 -1.6894312 1.3660014 2.2844543 0.9965578 1.1335152 0.3347484 1.7983931 -0.26235828 -0.21038875 -1.7715085 1.2766675 0.39757675 -0.0538845 -0.059065998 0.40034842 1.2913108 1.0533438 -1.874677 -1.0940422 -1.9566406 0.3403132 0.33308953 -0.6263055 -0.37932056 2.1069736 -1.4801707 -0.9810694 -2.0877259 0.13352686 1.8224813 -0.39502102 0.8825835 0.6560868 3.0702324 1.5656645 3.5573206 -0.012254886 -2.360433 -1.012488 0.10714329 -3.0371056 2.9764354 4.08082 0.43906686 0.1961952 3.8431118 -0.6415823 -2.6142602 1.4470035 1.5066372 0.41248178 1.2471873 -0.16075309 4.7487087 -0.7390114 -1.1753521 -0.1869627 0.9830166 3.2172976 3.5074315 -3.1463966 0.29349515 2.4311428 -0.87637657 1.1591823 -0.36557236 1.3018643 -3.5880024 -0.34287667 0.48967892 -0.020522544 2.6621006 1.8858715 2.4525108 0.33382887 -3.273704 1.390853 -0.81725293 -3.1653066 1.5212736 -3.0116234 2.4191363 1.5732521 -3.0623908 2.5654845 0.7853725 3.4199324 -0.3699654 -0.30198628 0.20621738 -0.8488873 4.090295 2.0421233 -2.0305517 -5.4108124 2.631825 1.0539625 -1.8958135 0.75968474 1.697108 -0.1948079 -1.8151869 0.576345 1.772475 2.790512 1.921702 5.1744256 -0.7201388 -0.8059108 -2.5889502 0.77740175 0.07774256 1.5744822 1.242311 0.29342836 -2.6813085 0.10436289 0.68932873 1.8701698 -0.23880613 -0.8494301 1.335011 0.266751 0.9109503 1.9666762 -1.4833748 -0.7011477 0.22046557 -1.2217008 0.87000114 0.18398616 -2.4986775 -1.1298363 1.5848166 -0.24223845 -0.2162525 2.1829588 -1.5325992 1.1675677 -5.088229 -0.16862953 -1.3642575 -0.6316698 -2.7695918 2.272511 -0.54373294 1.897115 -1.9647461 -1.5978874 2.3262622 -0.5012307 2.9274263 -0.5546272 -0.18442489 0.947376 1.458019 0.20046918 -0.018950433 -0.7872647 1.2107229 -1.1870371 -0.43728882 1.1986234 -2.819544 1.8061352 2.4505477 0.91199446 -0.20744716 1.9664663 -0.21964233 -0.31617287 2.162797 -3.272592 0.63956416 -0.8684086 1.2321064 -1.2548544 0.2566825 -1.1227971 1.6435356 1.549682 1.3318875 -0.60449684 4.2562485 -0.4210904 -1.0385422 -0.56915885 1.6466063 2.0731606 2.4626758 0.20659211 0.8463601 0.024815917 -0.37601537 -1.6019924 -1.6703101 -0.50503194 -2.3139224 -0.48872676 3.4011438 0.6124089 0.0526184 -0.2672288 1.9176241 0.63954943 5.006576 1.7077487 2.1731303 -2.1623592 -0.026573002 -3.3086095 -0.3024762 0.06623511 2.3549662 1.4618939

N-octanoylglycinate is an N-acylglycinate resulting from the deprotonation of the carboxy group of N-octanoylglycine. The conjugate base of N-octanoylglycine; major species at pH 7.3. It is a N-acylglycinate and a N-(fatty acyl)-glycine(1-). It is a conjugate base of a N-octanoylglycine.

1.505295 2.0318882 1.2545295 -4.661777 0.5604393 -3.0585756 -1.420866 3.7138166 -3.1305182 2.1927524 2.9820135 -3.5483563 1.2089632 -3.5274856 -1.5418612 -4.0251803 -0.22620699 1.2200907 -4.2252464 0.8750294 -4.397489 -4.253131 -1.2208164 -6.9073567 -0.7643731 3.966277 2.676347 3.17263 -2.9063795 -5.078223 -1.0320603 -4.164959 0.09313603 4.2623525 2.4062958 3.2111058 -0.9792809 7.145737 -0.20341714 6.38494 -2.6360412 -3.5419652 0.4685683 -0.7837974 -5.415818 0.750147 -0.7353357 0.90366805 -1.1071304 3.057899 4.311561 1.8069965 3.248365 4.0557094 2.837983 -2.2610362 2.6769736 -1.233036 -0.40389276 -1.6425384 0.033591926 -3.7543514 1.7370412 4.36573 1.5765969 0.75749505 0.9723285 -0.77833104 1.8897278 -0.48568335 0.8033812 0.66859454 -3.9344869 1.4779451 -2.3480182 -0.68011767 -1.353276 0.73726416 0.10629552 0.94513535 -3.5137253 -3.6105464 -1.3092855 3.3291879 1.9188249 -0.9710303 -0.0972352 2.7020514 3.7690146 -1.7116028 0.45102108 3.6199186 1.2725117 1.7239294 -0.007155493 0.29480952 1.6412753 -0.7635895 1.3543779 1.9561155 2.475479 1.6279597 -2.8559067 -1.0701041 -3.8070457 1.3479468 -0.15892817 -1.0895109 0.7675912 4.4679704 -3.2711146 1.3082474 -4.1930394 -0.29260796 1.0151755 -0.6153478 0.72175443 1.689456 1.6300857 4.0440617 5.4503193 -0.11062609 -2.7392087 -1.1600754 1.3156368 -5.7633514 4.023528 4.877395 0.84455115 3.382855 5.813106 -2.2934961 -2.6096077 2.8773236 3.4844654 -0.6418192 1.4340329 0.46482933 8.596942 0.4210899 -1.8572081 -0.3061577 0.24154612 3.966605 5.294706 -7.234726 -1.5302476 4.6902046 -3.180154 1.1420472 1.5305151 -0.025402512 -3.5326889 0.77460873 -2.0118926 0.5397695 4.6368732 4.286176 6.395614 -1.1243997 -7.2104073 1.1009547 -2.9731042 -4.089454 3.4575655 -2.7111948 3.4608133 4.093218 -4.2524686 2.9434884 0.89417404 3.615552 0.4040463 1.4198592 -0.45135003 -0.78684324 6.237128 4.0621524 -4.920789 -6.639335 3.0600524 0.35336137 -2.7760847 2.2866614 3.741025 1.7928137 -2.0110004 1.078288 1.5317425 4.528955 2.7767432 6.1266284 -0.9258175 -0.33816582 -2.2149832 0.43070912 1.652927 3.7395082 1.8266752 -0.636221 -4.3368545 -1.165706 1.9074773 3.6507812 -1.2047576 -2.9856977 1.4585153 1.7658165 0.8578524 2.150063 -1.7495244 -0.3062466 1.9908268 -3.5931273 2.018217 -0.33900464 -5.2935967 -2.4688983 2.887001 -0.31958807 -0.7536839 3.7161345 -3.4549549 2.9860365 -7.5436645 0.8662075 -0.8072021 1.4202088 -4.3649917 1.7313834 -0.6900569 0.6471506 -4.4530745 -3.2844205 1.5098084 1.1441045 5.1367445 -0.47494352 -1.133085 1.0517467 1.690388 -0.4441818 0.5178896 -0.8816923 2.0417874 -0.703956 1.4492253 -0.19355506 -2.5035958 2.5520124 5.0984387 0.4094613 -0.9934255 0.93220603 -0.5689317 -1.2512391 4.5618677 -2.6489024 -1.9074256 -3.3244011 1.9567116 -4.275619 -0.5292115 -1.6711043 1.7824638 0.81604916 0.22985898 -1.3811953 4.6323485 -2.186304 -2.4949584 -0.56208414 3.8227065 3.2776146 1.6086147 2.1148686 -1.2725952 -1.3406619 0.9124216 -1.4913893 -3.4217272 0.2616281 -0.7302919 -1.4354649 4.7842803 1.2203712 1.2715302 -0.4861933 3.2583227 0.47091812 7.409764 0.5331102 3.857934 -0.3519332 0.5795367 -5.22761 2.0023963 0.48829034 3.6064417 3.0162745

Beta-D-GalpNAc4S-(1->4)-D-GlcNAc is an amino disaccharide consisting of 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose and 2-acetamido-2-deoxy-D-glucopyranose joined in sequence by a (1->4) glycosidic bond. It is an amino disaccharide, an oligosaccharide sulfate, a member of acetamides and a glucosamine oligosaccharide. It derives from a N-acetyl-beta-D-galactosamine 4-sulfate and a N-acetyl-D-glucosamine.

-4.8766108 5.1498995 2.353758 -0.66661626 0.66086614 -21.110624 2.0418136 -0.10552203 10.842285 5.866804 2.5398908 -5.221353 -8.430309 4.0080423 6.2134185 -4.0840316 4.213075 -9.508208 -22.422363 11.767369 -7.5628805 -15.847333 -10.84113 -5.9895763 -6.8653784 0.14213964 3.5791771 7.173526 -1.2203246 -6.026405 1.5837531 -2.584164 2.3572874 10.301941 13.676303 2.8986511 -5.9702854 10.831499 2.3801613 -0.10587489 -8.612212 5.470916 0.26231772 2.454117 -4.764232 -0.89983314 0.90025383 5.9462295 -2.4286568 21.16027 7.5332026 -1.6805726 11.99864 4.5097475 13.659438 1.076622 -5.2107744 10.8324585 -3.991988 -4.1581025 6.386804 -6.782059 2.1796312 4.9796605 -9.077533 1.7960181 6.119406 3.3607075 0.8203343 -5.2675414 2.1031597 3.3664634 -11.053416 2.7375228 -1.7481517 -7.652416 -18.517738 11.028475 2.24118 4.387926 -9.388815 -7.946795 -6.1020746 4.157573 5.8908353 -3.9758945 5.707743 3.472849 9.7577715 -1.9788203 -1.5959004 0.742449 -1.7710207 6.715366 -2.3605173 -3.562648 11.428624 0.628135 -1.0409577 -2.421427 7.1166253 -0.06470477 -14.60787 -0.28946167 7.7931933 2.4527316 -4.3977304 -0.66814566 2.3063173 6.4436884 -11.35119 5.2372274 2.364991 -1.9809153 13.048684 -8.672515 -2.8216558 7.294141 8.032679 10.875479 9.001555 3.549089 -10.723923 -6.117953 9.316598 -16.96452 17.990627 7.4721737 -10.679147 9.043818 1.4715208 4.9674864 -13.227068 18.533371 18.274254 2.9700992 5.6042213 -4.3366137 17.771517 13.314303 -8.352161 -1.1530029 2.632695 4.8951874 22.95243 -9.255526 -7.8844976 16.851469 -11.569555 0.733727 7.9296107 1.8944346 -7.5395045 3.0919623 1.4978397 4.3474207 17.787178 8.999891 20.129889 -3.6847043 -18.4245 0.453027 -11.109781 0.3996291 5.382743 -3.4141135 25.616072 7.5455055 -13.879621 -0.25031674 9.568642 11.671931 9.486347 -0.94128156 -3.6246965 0.008721143 16.490423 16.325315 -3.8641508 -3.836777 -9.128615 4.791105 -9.713359 1.6275303 1.7270106 -1.0989506 1.3626077 -6.0595274 4.880714 0.30254957 8.28185 6.1220713 4.6955833 6.7305193 0.8145589 4.80197 4.6230707 1.6411471 1.8184391 1.9538966 -1.8686395 -5.146923 7.044993 14.168759 4.6422215 0.4179411 -0.32849777 1.4599123 0.66081023 8.726851 0.28941852 -2.7836301 -6.607238 -2.9890873 -3.2459986 8.591666 -3.0305102 -1.8582628 3.729238 -4.8078914 -3.0073524 1.573373 -4.3434772 10.076834 -4.4093275 -9.260083 -8.327276 6.501429 3.3815837 7.120537 -0.6883819 4.6202927 1.0230451 1.3738546 -1.6074867 1.8186929 9.73485 -0.9172385 -15.434265 -6.280696 -1.5369631 0.026202887 0.0461452 -3.2140408 6.1359754 1.9110584 4.092877 -7.39618 -4.301765 -2.0887227 3.5084803 4.562901 -4.741008 5.119178 2.8746157 6.313529 1.1210085 -13.690439 -4.7814465 2.9578507 -4.705784 -7.3827314 2.719646 -1.6265324 1.2125401 -5.2986717 5.6501293 7.691857 10.225744 -1.9933906 1.2484777 -0.8438315 1.8248806 4.4656916 15.487217 11.610079 -2.2570586 -7.0365458 8.810363 5.6155105 -3.1327307 -1.1980948 3.0016007 2.973771 12.056006 -10.6561575 -2.894803 -2.5321536 13.271569 3.515511 9.877789 -8.579072 18.12755 -3.0992541 3.2966242 -16.392517 -3.5637212 -3.082227 10.283418 4.531632

1-O-glyceryl alpha-D-galactofuranoside is a D-galactosylglycerol that is alpha-D-glucofuranose in which the hydrogen of the anomeric hydroxy group has been replaced by a 2,3-dihydroxypropyl group.

-1.4389651 7.126855 2.883746 -2.8116975 -0.96807146 -9.74899 -1.2323519 0.1383226 3.366184 1.374609 1.3472435 -3.026324 -5.3715715 2.336792 0.9969862 0.068813354 1.4014323 -2.5331905 -13.187202 5.807653 -4.6503487 -7.195469 -4.860028 -4.393169 -4.375451 1.9006163 1.4781202 3.2613614 0.09344119 -3.8625648 2.2483346 -3.193044 -1.1285578 4.428305 8.598429 2.4828544 -2.2691448 6.411127 -0.87441146 0.14241166 -5.21588 0.20060001 -1.4060289 -0.9558602 -2.7298818 -0.30346203 -0.7190778 4.4566445 -1.2844093 11.171609 3.831721 0.19908401 4.211205 -0.0067590065 5.4739366 0.22824489 0.88863796 5.4748325 -1.4838946 -2.379011 0.9872319 -5.858196 3.3690019 5.4743557 -1.710916 -1.0809659 4.2314305 0.60918045 -0.3082614 -1.7352941 -0.13615933 3.8931792 -3.540163 1.7917588 -1.33517 -1.4400649 -6.0936093 6.452929 0.072402 2.6757607 -5.6245584 -3.2099385 -0.43883526 1.7973328 3.6514628 -2.3738093 5.861258 3.3308995 7.722459 -1.9475025 -0.3612308 -2.0763617 -0.6647036 0.08809539 0.3741532 0.6095716 2.0858364 1.6365439 -0.37563628 -0.29825413 5.4157863 -0.12209619 -6.2255893 -2.5117013 3.572577 1.0027516 -2.04053 4.287513 0.5037372 1.8750659 -3.2486455 -0.14881733 -0.19721717 -1.938098 7.4041476 -3.8773377 -4.9825234 3.2382417 4.9809556 3.2449706 4.28316 3.0594208 -7.792185 -1.7075781 2.3320804 -8.401396 6.769851 6.573547 -6.141726 3.4428337 1.1978307 1.8231628 -5.9117355 6.3753533 10.832451 0.5883458 0.998642 -0.45529354 10.103246 4.456969 -5.2838635 -0.70341337 1.8501564 3.4851885 11.604498 -7.1124024 -2.7946627 8.211342 -5.90097 1.4904001 4.2035117 1.9761474 -6.090647 2.3973982 -0.38256952 3.3702567 9.165357 6.83679 9.663947 -2.8487234 -7.796762 -0.10526528 -3.4170558 -2.0544822 4.0700464 -0.56971484 13.522633 1.4926267 -3.5006166 2.8158436 3.3668814 5.54966 3.5286562 -2.995514 -2.562361 1.2870508 9.288987 7.7129507 -3.6686609 -3.357048 -4.7206693 -0.67212486 -6.509763 1.50997 2.487347 -0.657748 2.332197 -1.5993794 3.3430762 1.5302652 3.7095091 5.079856 0.16119249 2.6264274 0.8504498 3.5983477 2.6156864 1.9627566 1.3192962 0.30687377 0.532048 0.17149886 3.783995 6.4627266 3.7272148 -1.8612292 -1.9399594 -1.3679705 -0.5732024 3.143141 2.6019385 -0.8237826 -3.0714898 -1.8943866 -3.0042639 3.9141834 -1.8738344 0.6677073 4.6900268 -3.910662 -0.7045563 0.34758508 0.5311508 6.4702845 -6.05759 -4.150833 -4.549816 3.4092581 0.008230455 2.8350399 0.9225038 2.1075706 0.74960726 -0.8530102 1.3275279 -1.6952146 6.1475697 1.3225614 -7.779297 -4.081182 -0.98456436 -1.9104836 0.39083433 -2.2159264 8.221599 1.5116953 -1.6254102 -3.0426874 -1.1719822 1.1264937 3.7054386 2.7330382 -1.7412286 3.153591 3.3793073 0.63599974 2.086232 -7.738937 -3.2678165 2.5371096 -2.2694063 -3.5981655 2.669863 -0.32487914 2.228931 -1.9045503 3.9482093 0.5523981 5.2134056 -3.0008738 0.68157053 0.9187933 -2.6904275 -0.83195555 9.028739 10.214872 -0.9892474 -4.52101 3.5011473 2.457231 -0.059665345 -0.35467303 1.0272179 0.44409204 7.5570283 -3.5186632 -3.8139822 -0.3880169 6.6827707 1.6420363 2.6331768 -3.1359274 10.46897 -3.6176817 1.5950673 -8.93421 -2.260545 -2.3325334 4.6347027 3.236385

Beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc is a tetrasaccharide comprising residues of galactose, N-acetylglucosamine, galactose and N-acetylglucosamine units in a linear sequence, joined sequentially via beta(1->3), beta(1->3), and beta(1->4) linkages. beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc with beta-configuration at the anomeric centre of the reducing-end N-acetylglucosamine residue. It has a role as an epitope.

-5.582459 11.302858 6.876 -1.468416 0.9938554 -33.524597 4.14857 -0.77644765 20.022264 8.051879 -0.29984215 -8.55834 -15.70232 9.421262 8.474851 -5.105386 8.930359 -15.493695 -39.28566 18.958757 -9.641369 -25.689028 -19.353605 -8.825173 -14.230656 3.3553846 5.2999887 10.438487 2.4430616 -10.458373 4.368091 -3.6979032 5.274326 15.001355 27.740099 0.7521339 -9.148841 17.307112 4.809036 0.6090659 -18.022676 7.2710185 -3.038358 1.9864681 -5.470341 0.18139541 -1.5751384 12.802233 -2.2049978 35.624523 12.421993 -5.3747582 17.453066 3.522725 25.891668 -0.2509977 -6.440708 17.051897 -6.27687 -4.534199 8.045539 -12.289748 2.598521 8.941622 -11.062257 0.41410393 8.243874 6.639098 -1.4093617 -12.363651 1.6339558 8.024542 -18.180874 6.7722063 -0.50451994 -11.498264 -29.151133 18.289906 -0.9905402 3.7315986 -16.33878 -12.551798 -9.903566 5.1683354 9.926214 -4.3074956 15.43653 4.798204 14.097845 -5.2771587 -2.1499417 0.13006659 -0.63939834 7.1121235 -3.4178405 -8.127688 14.911154 5.0026135 -0.39479405 -6.181138 16.644958 -1.1919348 -23.697798 -1.2209198 14.852803 6.4369984 -2.9933157 2.658229 3.1660786 9.153074 -12.943953 10.378623 6.068834 -3.3895628 24.514051 -16.5007 -7.1835456 9.5612545 17.036816 14.318565 15.52021 5.8688073 -19.216436 -6.2237973 12.008951 -32.33938 27.827345 14.070244 -20.547466 14.13608 0.34318718 8.332394 -21.964573 28.927496 35.414433 7.169257 8.213332 -6.016853 28.079302 23.212618 -13.955194 -0.53952914 6.4842257 8.382827 37.601982 -14.115624 -13.037454 27.972681 -21.658731 3.52799 14.354609 7.09743 -16.834854 7.286539 0.7927723 8.972161 31.403217 17.389204 34.156876 -7.319839 -31.808008 1.1826898 -15.699883 -1.4741195 10.22977 -4.844693 46.864586 13.329989 -19.542261 0.12438647 13.283197 19.024502 14.645462 -3.7327785 -5.6909056 0.36957926 23.494816 22.794676 -5.696312 -4.099269 -17.709307 3.8477542 -16.553734 0.9227355 1.8388081 -5.9885798 4.705221 -13.563893 6.364881 -1.2320082 11.806095 8.893985 4.4298124 11.249692 1.1192049 12.636514 3.4893987 1.9937309 3.8572776 4.2139163 1.1003788 -3.1070077 9.168274 22.917881 8.574262 -1.8503276 -3.0833633 1.1733558 -0.56678 13.520244 3.4052477 -4.3624926 -12.322718 -6.4773374 -8.497204 14.45483 -4.521648 0.054447673 8.693612 -9.870747 -3.6623037 -0.35668966 -2.1811612 16.729517 -7.3579354 -15.829237 -16.130913 6.1849413 6.84068 9.225091 -0.38253695 4.233657 3.70686 2.378965 -3.7902427 2.678355 17.545013 -1.6810174 -23.816965 -10.4453125 -4.9159994 -1.5343356 -0.55193 -4.9801383 13.908827 4.0464816 2.89415 -11.730458 -5.0845623 -3.0555184 6.262227 5.8323417 -10.82342 9.414153 10.556962 13.557177 0.47016096 -24.607508 -10.691962 6.0517545 -11.385062 -11.841109 4.296436 -2.4810395 3.3238933 -6.974317 11.876934 10.357904 17.883583 -4.3579636 1.9824739 1.0311776 2.631572 2.345749 25.799124 23.696533 -3.1157014 -11.488999 12.714475 11.489837 -0.07719928 -4.022862 4.489127 0.6425847 17.108912 -15.597913 -9.610058 -5.9867187 20.759493 5.8509393 10.004803 -10.626758 29.53735 -2.9179137 7.5168347 -26.384369 -4.419102 -5.9235044 14.763871 6.8863115

Cinnamic acid is a monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia. It has a role as a plant metabolite. It is a member of styrenes and a member of cinnamic acids. It is a conjugate acid of a cinnamate.

0.2688237 3.5608814 -0.5237473 -2.211123 -0.17440848 -5.021303 -4.264612 1.5021064 -3.8382378 2.2391958 5.1237645 -2.875245 1.9587228 1.8156005 2.22535 -1.5010693 1.5847411 0.39130393 -4.5353713 3.0876935 -2.1913843 -0.98998857 0.2721061 -4.5257 -1.075679 -0.65734553 1.3404001 4.974951 -1.479923 -3.3170373 -1.5072715 -0.96372205 0.86507803 1.4256175 1.7814438 2.8232577 2.9329433 1.3946414 0.61535305 1.2089037 -1.6264628 1.5270941 1.1481627 -1.749886 -1.6458627 -0.38943902 2.71407 -1.650682 -1.1723151 0.11927939 3.8532505 0.9107247 -0.21484675 0.9934224 -1.5583262 -0.704626 -1.871784 -0.5838779 -0.99402636 -0.2870093 0.2231665 0.5273089 0.13572384 1.7420449 -0.98211044 2.1728895 -0.7601026 0.096999496 0.6848693 -1.0936327 1.2114757 1.9932425 -2.6963694 0.16577323 -1.4551187 -1.4117423 -3.5881464 3.636761 2.4886718 4.265792 0.8323517 -1.6702226 0.4115533 1.1084757 -1.396753 -1.6648554 -1.9597502 -1.9934357 3.0235965 -0.7101945 -0.09589012 -3.339316 1.2307471 1.3549126 -0.21799427 -0.578497 -0.45346954 -1.244068 -4.6508074 0.0035959259 -0.25295094 -1.4479616 -1.9641508 -1.3581946 0.46060356 1.3313966 -0.08264195 -2.4225051 1.4422077 0.028184876 -0.10222805 -2.4504385 -3.6098366 -3.0056434 2.7005825 -1.9259075 1.0508318 3.316615 0.46015 3.330901 1.3489348 -1.0954437 -0.48292342 -1.1602873 4.164693 -3.8143768 2.060289 3.2496839 -0.7695414 -0.008172266 1.7471787 -0.53821313 -4.397857 0.6184053 2.3785887 1.6393721 -1.289563 -4.0139046 1.5356728 2.7976859 0.008036956 1.3829043 0.20341729 1.819559 5.166509 -5.2383184 -1.870945 1.2558948 -2.0054283 0.4951256 3.474074 -3.2404406 -5.224154 1.4986842 0.38800484 0.11991048 0.27057326 -0.12495182 2.4187987 -4.1175427 -1.8302891 0.28965932 -0.1652792 -1.4683094 2.9081645 -0.454338 4.9038525 3.2556603 -1.7145871 -1.6133815 -0.40382683 1.2174491 2.500901 0.78539777 0.8900802 -1.251918 3.540403 -0.36156258 -3.4875655 -0.7476337 4.1940556 -1.4840938 -4.4341145 -0.8276111 1.7793299 0.8155901 -4.678779 0.3255024 -1.9170058 -0.35851192 4.2750554 -0.08224392 0.988047 -1.3349464 -1.1830893 0.5312564 4.6671147 -0.09847042 0.79697824 0.20995696 0.17200616 -3.1059656 0.8632823 1.7334493 -0.027958691 -0.610376 1.7130975 -2.444796 3.7634766 0.42169693 -0.42004925 3.7353637 2.1329513 -0.50766367 3.6587472 -0.30640203 -1.4319925 -0.9113488 0.41866243 -1.7518297 1.0119438 -1.2864276 -4.558871 -0.37645802 -3.317754 1.7868242 1.2897094 0.6960224 0.321376 -0.18515372 1.4239476 4.8965187 0.92516273 -0.812936 -1.8149862 -1.5634766 -1.7766135 -0.891662 -1.8081973 -1.4648738 -0.9736627 -1.6686398 -1.2050596 0.09869036 -0.30959612 -0.61978745 -0.2681303 -0.11161038 -3.0389388 1.4999983 1.463457 3.3445945 0.68444794 -0.5685477 -1.6066167 -0.7421869 3.2735007 -1.632548 -0.3095125 -3.2615159 -0.5563844 -2.3832712 -3.6597915 -0.06850775 -3.3362415 0.16838142 1.3090973 0.022931106 0.5275986 0.9721385 0.21438931 -1.3853714 1.4673069 3.99325 2.3058598 -0.37957174 0.86512816 3.0190086 -0.2617705 -0.61062187 -4.403208 -1.0841253 -1.4246379 3.0564659 0.7652299 -0.51608735 2.895374 -0.6227104 1.7110618 1.158876 1.0271802 0.3043453 1.637748 -0.81808186 0.5787761 -1.8895639 0.7031251 0.33686095 1.4903779 2.802108

4'-O-demethylsordarin is a tetracyclic diterpenoid consisting of sordaricin in which the primary hydroxy hydrogen has been replaced by a 6-deoxy-beta-D-altropyranosyl group. It has a role as a fungal metabolite. It is a tetracyclic diterpenoid, a monosaccharide derivative, a glycoside, an aldehyde, a bridged compound and a 3-oxo monocarboxylic acid. It is a conjugate acid of a 4'-O-demethylsordarin(1-).

1.743923 7.554929 0.15869913 -4.0007215 -6.2855806 -13.228881 -2.6020331 -2.7578804 6.246228 6.98513 3.779562 -5.573773 -5.434478 12.219701 3.578526 1.3725736 10.798802 -5.290761 -19.264221 10.48053 -6.3599925 -16.18427 -11.445984 -2.0651095 -10.526531 1.5531497 1.0828146 11.703857 0.77623314 -7.782147 3.2522109 -2.0819848 -1.82268 8.946133 17.995283 1.2324789 -3.1635714 9.299065 -4.0122557 0.35942844 -9.214189 4.559372 7.396867 -2.2658408 -1.3521112 -2.6659932 1.4682534 0.7124026 -3.4451091 13.302008 10.561253 -5.7270017 7.163358 -1.0697811 8.780193 6.6157312 -3.2763343 9.625841 -3.285821 0.42185664 5.330205 -7.4230113 -2.0692537 14.323113 -6.6755047 0.10588408 4.7151556 6.3350334 1.6971955 -7.444442 -2.75078 5.2045126 -11.157142 0.6223988 1.7528456 -6.3165817 -10.134839 12.360227 3.1907973 8.940187 -9.010441 -3.5494392 -1.6870403 7.811117 4.469242 -7.892284 5.5442514 -3.2432446 11.937116 -4.698732 1.1303804 -0.27705806 -2.5178387 3.17288 -3.5908701 4.3220234 3.2320833 2.7189655 -3.8744872 -3.66134 7.3470054 -8.056366 -11.768025 -0.03340126 8.206652 4.8196545 -5.647936 -6.4412384 -4.9809895 7.3428125 -8.359209 2.8856702 3.7479215 -1.8061612 12.887865 -8.416316 -0.06990205 4.4128857 7.9557095 7.5928607 4.7419066 3.5733633 -7.1799245 -3.0738845 8.0182295 -17.502138 14.756559 7.596721 -9.154777 7.9333115 3.3217816 2.7467546 -15.496393 9.549415 17.356623 3.6563048 5.415957 0.088817336 15.253869 11.505356 -6.9901586 0.8136435 -0.55212206 2.19976 10.046666 -9.254708 -9.064028 11.204943 -8.664884 1.2433224 0.3906777 1.6186537 -10.253227 4.0846133 4.293471 0.25899297 12.009542 6.567977 11.081883 -5.6319013 -12.365443 2.4764352 -5.569828 -1.6181946 -4.2755756 -2.4370184 19.48824 6.3666124 -10.16208 -2.614554 4.0436172 9.8657875 4.660931 -0.06006685 -4.4388905 -1.934767 6.6336274 10.629537 -4.3622804 -0.9989183 -6.4083242 3.419112 -10.219189 1.0129455 3.3983946 -3.2680607 -2.7599776 -0.4780811 2.7695053 1.2923933 8.497127 7.8721256 4.1815786 -1.4953988 4.238207 1.8212947 6.6606126 0.87875146 4.3241487 3.4759133 2.0040085 1.3707778 5.7438393 12.144701 4.970853 2.6069753 2.5648305 0.5696131 3.4892855 8.060736 1.609938 -1.9600132 -6.3168983 -6.3729234 -0.3125184 4.6905403 0.5135156 -2.0047348 2.0332239 -1.0296713 0.22725266 -4.2848134 -3.1924248 5.285566 -4.2477217 -7.139635 -6.702809 2.8592577 1.1604085 6.0644517 1.15799 2.828678 3.639306 -1.8681567 1.4161571 1.6272905 5.0545244 0.25707266 -8.242015 -9.093446 -5.8013253 -0.9822471 -3.0059185 1.4801716 1.068363 -1.2211686 -1.3729345 0.7360612 -2.9040813 -6.0482492 4.522424 1.2767888 -3.9163177 6.567901 4.3465366 6.637689 3.5498607 -8.175013 -0.5367892 4.818745 -8.944352 -0.9028781 -3.6624055 -1.8313006 -3.4286332 -2.868548 5.350246 -0.15075804 7.357222 -1.7855401 -0.29246315 -2.4604301 -4.1818447 5.2739067 10.772719 4.026195 -0.60243577 -0.5815497 1.6374623 -0.55230373 -8.412935 -3.7437837 -0.13727808 3.5493486 4.6407595 -7.5885673 -9.304328 -3.0239391 10.852797 4.7899814 3.79541 -6.08691 17.927334 -2.0762653 -2.6423962 -14.416769 -0.22627114 -5.5340004 4.6891556 6.5029526

Cardivin C is a germacranolide isolated from the aerial parts of Carpesium divaricatum. It exhibits cytotoxicity against the human tumor cells, A-549 (nonsmall cell lung), SK-OV-3 (ovary), SK-MEL-2 (skin), XF-498 (central nervous system) and HCT-15 (colon). It has a role as a metabolite and an antineoplastic agent. It is a cyclic ketone, a diol, a secondary alcohol, a tertiary alcohol, an enoate ester and a germacranolide.

1.2795286 7.972045 -3.6498227 -2.9966152 -8.9923725 -10.233057 -4.832142 -0.7119955 3.6481085 7.6546144 7.11446 -5.258369 -0.45344946 10.657675 1.3653839 -0.16794823 10.61087 -3.9048576 -16.631256 6.3604445 -2.9767938 -11.983995 -8.724062 -2.2577558 -9.475838 -3.2134929 3.8262823 14.291362 0.43038344 -6.1994333 2.1442084 -4.6872535 -3.103974 8.441181 14.942407 -0.905795 -1.5116117 6.2082667 -1.4968133 -0.9491257 -3.219156 6.5494866 4.753524 -4.3698773 -3.2100444 -9.014179 -0.03210947 -0.066385865 0.63057125 8.840661 11.677015 -5.0270715 5.435404 1.5336492 6.8033247 4.339445 -4.9381843 3.7335942 -2.816916 -0.39598367 3.5485842 -4.3038044 -3.979478 15.11026 -6.7482967 2.5389402 7.502764 6.823905 4.026808 -1.6464227 -1.788319 4.8197193 -10.945689 0.6408849 1.7056235 -3.181494 -13.413218 11.235082 4.460144 8.953603 -8.401563 -0.8105121 0.6429235 9.858538 2.319629 -7.7280836 2.832082 -5.340547 13.172637 -5.2815237 -1.3505142 2.0785213 -2.2041879 5.1561127 -7.093707 1.9804363 5.6141467 1.8866667 -1.6649272 -5.1127725 6.6164393 -8.920759 -10.539727 -0.5186425 5.51603 3.4514577 -4.3773646 -6.9855747 -4.2485633 5.729974 -4.271653 -0.063155934 -0.59898615 -3.345668 7.0362744 -6.0931616 -0.953874 2.7255936 8.046537 6.2471547 0.8770139 1.7192795 -2.3791723 -3.1340957 5.5580997 -12.216256 14.56744 3.5237858 -4.5030484 7.259741 5.1265945 2.0794163 -14.598946 8.722506 14.034841 1.701879 3.472585 2.7215433 11.009037 11.505043 -2.7368484 -2.5632317 -4.734958 4.3690763 8.3015785 -8.852661 -5.5444736 7.3567896 -8.931891 -2.2953813 -1.90146 1.0334468 -15.269219 5.9131613 5.1654506 -3.9144506 8.683064 6.6554885 7.4388857 -8.248885 -11.298374 4.549492 -3.1595545 -4.5812283 -4.5459003 -2.154064 16.437645 9.828447 -13.192182 -4.1066046 -0.21130215 10.607043 2.820067 4.241052 -5.819478 -4.03543 5.7642684 11.814947 0.27053654 1.287887 -2.93274 1.8486042 -10.31462 -0.59146047 1.1853446 -4.925226 -8.658034 1.5442574 4.890494 1.2774081 6.5334992 8.231685 3.8998246 -2.416925 2.9797003 0.86672103 10.751914 -1.3835888 2.707006 7.2721114 0.59029263 -2.671305 3.6381652 11.301732 2.1496432 0.48476535 5.041508 -2.5337265 6.7117662 5.6512866 3.8139749 -2.5973647 -1.6806641 -7.0002394 0.41137463 5.776115 1.492691 -1.9383512 2.7601507 1.4971992 0.22645327 -2.7916887 -3.284676 4.9919767 -7.694396 -3.5605376 -5.2262764 1.3099067 -0.46037668 5.909329 5.0683465 2.855966 3.0843227 -1.9941479 1.3264334 2.4983277 2.8860345 -3.2934935 -6.3361216 -9.020034 -4.970827 -0.32170084 -3.8593655 -1.7113008 -0.3769329 -3.0529315 -1.5336843 0.031681575 -4.737858 -7.56786 6.128975 4.0587783 -5.391962 4.0318108 2.1250155 5.3704767 3.2969882 -5.919857 0.5471321 4.334501 -6.0000052 -2.4071648 -4.388921 -4.9976335 -6.3594747 0.35149145 3.144815 0.86546636 5.677389 -0.9304531 -0.32085443 -5.96147 -0.2250009 7.5117784 4.7462068 -1.6015053 0.88194215 1.49891 0.7239046 -4.023955 -15.617805 -0.68931276 -3.4074883 6.329843 1.7962024 -6.3345304 -7.8109426 -2.6605246 8.23541 4.0351877 4.0494094 -3.3577087 13.286623 -0.21538079 -3.9195042 -14.47768 3.1387064 -3.5748942 0.98774916 8.342199

L-allothreonine is the L-enantiomer of allothreonine. It has a role as an Escherichia coli metabolite and a Saccharomyces cerevisiae metabolite. It is an enantiomer of a D-allothreonine. It is a tautomer of a L-allothreonine zwitterion.

-0.83039457 1.980311 -1.0709283 -1.6869744 -2.184423 -3.8983247 -0.29681242 0.38477176 -1.0675873 -0.23617178 1.3452518 -3.766831 0.05786361 -0.22065936 -0.97977465 -0.5925708 -1.0725092 -1.096656 -4.689698 2.1726973 -2.6989932 -3.0420086 -0.957158 -2.1453297 -1.7777629 0.603168 0.26081234 1.1698989 -0.7823563 -2.003853 0.78174245 -1.2114552 0.3619758 2.7062066 2.1478946 2.067293 -1.3111844 1.1817479 -0.08666377 2.7825272 -1.284787 0.5347703 -1.3902137 -1.1070455 -2.4844337 0.4134934 0.06352878 0.93793803 -1.2312353 2.0999298 2.3612735 0.95496184 -0.5858523 1.3920679 1.1712074 0.80048543 1.3665617 1.0691159 -0.039412025 -2.1179013 -0.7024665 -2.9354153 2.5540257 3.4110954 -2.3459735 1.4045585 2.7355099 1.733321 -1.0915277 0.8084817 0.76499534 2.7647324 -2.5387993 -1.2440729 -1.1381848 -0.58274746 -1.7946357 0.88945717 0.30526638 2.8904357 -2.2868464 -0.8619015 -0.50938565 2.3521004 1.4433019 -2.5885508 -0.1326907 1.0281447 2.8076644 -0.06607123 -1.0742823 -1.6275212 -0.814479 1.5181913 -0.5277527 2.2862155 0.20372187 0.36293584 -2.0387673 0.21714485 1.8550366 -0.22657683 -1.2534798 -1.3860439 0.5127559 -1.5443909 -1.9627571 1.3078612 -1.1752421 0.07387933 -0.28464997 -2.671955 -2.021931 0.056349315 0.93085444 -0.64275706 0.50576586 2.1132915 1.3063588 1.9808745 -0.23005086 0.4881521 -2.490524 0.17139398 0.17961895 -1.273685 3.1052332 3.2202363 -1.4915742 -0.8214336 2.6725862 0.9456426 -2.3352845 0.9065273 3.034718 -0.68754154 -1.038912 0.4316908 4.7616835 -0.32872766 -0.5367837 -0.40101588 -0.6162816 1.6779664 3.552233 -4.0190134 -1.2681121 1.5989816 -0.8266394 0.089490585 0.20987536 -0.7579587 -3.485071 1.6867967 0.944887 0.62880397 2.7127361 1.68183 1.3966608 -1.4691316 -1.5636247 0.13716877 -0.29456425 -1.8765562 0.18282141 -1.9431906 4.3024583 1.4014549 -0.6245512 -0.4598269 -1.2617042 2.452269 1.1919875 0.26661763 -1.1953273 -0.62634784 4.308073 2.888425 -2.5702734 -3.603168 0.7535218 -1.3971834 -3.0408006 0.6604369 2.5955722 1.4036682 -0.89844495 -0.04329908 1.9483838 1.6595033 2.2051985 2.0716786 1.2749345 -2.2777686 0.06751384 0.20381126 1.8911704 1.0194536 0.3470023 -1.0642778 -1.1676989 0.76072884 0.8764588 1.2608765 0.1896603 -0.42541617 1.6625518 0.028621264 1.886842 0.82476324 2.038982 -0.33489645 -0.6190785 1.1629806 1.0536659 1.5447001 -1.7458657 0.34728408 2.0248172 0.044372216 -0.87300575 0.037465405 -1.2311258 1.5420649 -3.734294 -0.099942595 -2.1239169 1.2885752 -2.1672697 2.119341 0.4931731 2.6347127 -1.966756 -0.67135155 1.6032817 -0.12735808 0.7552968 -0.24932218 -1.0132785 -1.1525161 -0.89176726 0.68361735 0.39378476 0.31338584 1.1746012 -1.4282258 -1.3980526 -1.0618653 -1.8804258 -0.30650163 2.4339755 0.6982217 -0.8836417 1.8885839 -0.6008326 0.3841045 1.2979095 -1.2162172 0.6758609 1.1807165 -0.15079224 -1.6663402 -0.43974626 0.5113374 0.6757975 0.7495998 2.480689 0.5265793 1.9455268 -1.6848372 0.040915966 -0.46415344 -0.2597395 0.51890236 2.8044333 0.5099635 0.07211678 -0.5371747 -0.7735863 -0.86991066 -1.334417 -0.24418357 0.6085949 1.3915474 2.5422404 -1.0612416 -0.48974472 1.0676044 1.2791685 -0.30479372 3.594352 -1.6487828 2.1682382 -3.033121 -1.7345936 -3.4755802 -1.1711832 -0.19102637 1.4742403 0.9282702

Bhas#18 is an (omega-1)-hydroxy fatty acid ascaroside that is ascr#18 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans as well as the sour paste nematode, Panagrellus redivivus. It has a role as a Caenorhabditis elegans metabolite. It is an (omega-1)-hydroxy fatty acid ascaroside, a 3-hydroxy carboxylic acid and a monocarboxylic acid. It derives from an ascr#18 and a (3R,10R)-3,10-dihydroxyundecanoic acid. It is a conjugate acid of a bhas#18(1-).

0.31769624 3.9027984 0.061300278 -4.3851705 -0.5619036 -9.16366 -0.41737425 2.883386 1.0886602 2.57773 1.3095725 -6.8974996 -4.0784297 3.151515 0.24109104 -0.26589268 1.4803871 -1.7328418 -14.001795 5.266612 -6.9054723 -9.167193 -3.305603 -7.5598197 -5.0694685 3.1492925 1.210429 8.595862 -1.7371927 -4.8654613 1.8139217 -3.052428 -0.6888341 6.8062205 10.297309 3.7155485 -3.877064 8.852592 -3.0567358 3.152126 -5.9276714 -1.0768194 -0.49308234 -1.0874357 -6.106877 -1.0840557 -0.49906147 2.6319299 0.67015046 10.349055 5.2627497 -0.40452024 5.425883 1.4594979 6.4326963 -1.924004 1.1953057 3.8504841 -0.94505745 -2.2951427 0.25165352 -7.812419 3.1736314 9.622669 -1.1180645 -0.39443257 2.937833 1.9406261 1.6155988 -4.0203905 0.16640797 3.509104 -7.6619616 4.663279 -1.3800892 -1.9886192 -6.7114987 7.2459917 1.5984428 4.2968907 -8.892155 -3.0850456 -0.9201466 4.692376 3.8510733 -4.952952 3.8217835 1.9649422 9.490037 -3.2893145 -1.0081341 1.4212494 1.5655272 0.7280065 -0.9938427 0.45547357 0.9838921 -0.23962836 1.5209467 0.116545945 5.575806 0.3444034 -6.319692 -3.211735 0.9736238 3.4523287 -3.82122 0.8227101 -0.7669225 6.237949 -5.969164 0.7614049 -2.8974648 -0.634053 5.3638315 -4.7514806 -1.1482801 4.8606243 5.5166817 5.881411 6.424531 2.9801707 -6.782283 -1.575357 2.0348763 -12.118169 9.751114 8.356979 -7.247943 3.0913634 5.6683183 -1.0832063 -8.706547 6.996198 9.6803875 -0.7811406 2.2082064 1.7979817 12.1756115 4.111161 -6.2439036 -0.5072938 -0.7539313 4.4579797 11.072146 -9.050821 -4.8718753 9.691539 -7.6628103 1.7895908 3.638844 0.8804989 -8.436701 3.1351545 -1.6016581 2.7860966 9.75317 8.069742 11.516919 -3.1266627 -11.276536 0.94726217 -4.953626 -4.278309 1.8884127 -1.6424931 12.882114 7.115264 -5.71327 2.1983478 3.2595186 8.489864 1.8655431 0.46720684 -2.353021 -1.1927848 10.887838 7.571091 -6.8421726 -7.3113394 -0.78690064 -0.017807618 -6.8706875 1.7783878 4.710098 1.7071741 -1.9711821 -1.8865758 3.8740342 4.90852 5.295344 8.83025 -0.07740652 -0.64672565 0.31485537 2.9628775 2.2036533 3.4169936 3.457305 1.673229 -2.5603971 0.90033776 3.972899 6.9070992 3.1142836 -2.8160007 0.10262036 -0.8756173 1.0138419 3.2899396 1.4776052 -1.5055453 -2.824985 -4.5971193 -1.6837816 2.538118 -2.847106 -1.5203756 4.2642064 -3.5736928 -2.3099823 2.1886091 -2.1854677 5.6633797 -10.147777 -1.9685073 -6.560933 3.3172815 -2.32129 4.610482 1.9010317 2.0709486 -1.843032 -1.8694034 0.8936334 -0.104086615 8.954797 0.36823687 -6.343797 -3.2773418 -2.36004 -0.55761546 0.46789053 -0.74167466 6.095355 1.6248887 -0.34771615 -2.4956706 -4.019044 -0.7428311 6.06072 1.5046996 -2.9132962 3.6943853 1.5194455 1.1400948 5.012613 -7.07558 -3.5297415 1.8325642 -2.305321 -3.9805064 -0.085908115 -1.3096298 2.8851094 0.57522666 3.6218371 -2.5721335 6.394371 -2.0500875 -1.4410969 -1.9400564 0.5865626 0.3501648 7.729481 7.4323397 -1.7952377 -4.7082553 2.2653065 -0.87694985 -3.7727044 -1.5577644 1.3772161 0.6541298 5.753672 -2.8249257 -3.0186324 -2.1274073 6.958599 1.5928962 4.268062 -2.6016376 10.118287 -4.377712 -0.41864902 -12.364574 0.38003352 -1.3147812 3.8323436 4.5314245

Antazoline is a member of the class of imidazolines that is 2-aminomethyl-2-imidazoline in which the exocyclic amino hydrogens are replaced by benzyl and phenyl groups. Antazoline is only found in individuals that have taken the drug. It has a role as a H1-receptor antagonist, a cholinergic antagonist and a xenobiotic. It is a tertiary amino compound, an aromatic amine and a member of imidazolines.

-1.5728213 6.549042 -2.0400765 -2.0351474 0.9667544 -3.777352 -7.06987 2.2830284 -8.629019 4.0080433 3.9455314 -2.9053643 1.8655529 3.955981 3.1043406 -2.004731 1.6574726 2.60959 -5.3844275 3.674088 -5.951456 1.2004337 -0.029073663 -6.373209 -0.35426584 0.89678204 -2.387755 4.208033 -0.22321261 -4.287848 -1.7344238 0.5998591 1.5327764 2.0918622 -0.17530787 3.4325647 2.2883928 1.9367641 0.36729455 -0.606763 -3.088531 0.32557565 2.1205382 -2.6503332 -2.4927926 -1.3839686 6.718901 -4.3132396 -1.8784016 0.8189172 6.0874534 -0.45777214 4.0427947 2.2050252 -2.5580816 -1.0753944 -1.0940324 -4.357786 -6.9658165 1.1885054 -0.35012093 0.42361802 -0.045198184 3.597221 -0.41360605 3.048679 -2.4557261 -0.64779705 -1.7015362 1.4586709 -1.8538417 3.3329077 -3.385585 -0.049931243 -0.6443435 -0.9892962 -0.7381059 5.502643 6.627984 4.4962454 3.0667994 -2.479638 2.5496361 0.7370538 -1.6542746 -1.6430559 4.70387 -2.1361005 8.082586 -2.0075283 0.5329311 -5.832071 -0.94791305 -0.11987959 -0.8888893 3.0325859 -2.7563417 -1.6210715 -4.566011 0.032417938 -2.889782 -5.105587 -4.8226876 -3.2306824 3.767999 1.2487919 1.0749247 -3.7410219 0.5043451 3.0238361 -3.2929027 -4.2694144 -5.7970138 -3.5179925 5.7167215 -4.3364944 2.869714 2.534593 -0.16850886 5.5650663 1.2990088 -1.2566301 -6.553252 -1.8306017 10.293685 -8.17882 5.9029098 5.5864415 2.0803525 2.3980691 7.2765584 -0.9999798 -8.788884 3.5984912 6.747098 3.4761887 -1.177242 -7.048021 -0.35315606 3.053494 -2.8670497 0.45162404 0.8234606 4.749902 7.571394 -4.4949384 0.04323883 1.6160831 -5.633369 2.18794 8.379454 -6.591535 -11.28309 1.2313609 -2.6200137 -3.3915951 3.6972442 -1.9224002 1.7632483 -8.253849 -0.60246575 -0.9794799 -7.7172728 -1.4759381 3.7574773 -2.3249822 10.067718 4.0227075 -1.1998401 -2.1184893 -1.199904 -3.7157662 6.7420716 -0.4763738 5.512658 -4.800479 3.166198 0.09258764 -7.5686617 0.58773446 7.828318 0.9456948 -5.091354 -0.8173722 5.6841574 0.5860591 -6.066755 4.775303 -2.138499 -0.68135 7.428809 -0.8929778 -0.41531646 -3.6704128 -5.160311 -2.9430954 3.2352118 0.48472196 -1.1700894 0.19539827 2.6176333 -10.233604 2.080781 2.1843557 1.6762323 2.020354 2.0443769 -1.8772438 3.7893414 4.034279 -1.2390487 9.464188 5.003309 2.1358259 7.646051 1.0718715 -1.7653433 1.4754208 -2.3941727 -2.5808969 3.5448825 -10.58643 -5.800902 -3.237022 -7.4320717 -0.38200444 7.879386 -4.033785 1.3588048 -3.347884 0.01922178 7.1832504 3.525018 -1.9923944 -0.4333567 1.8314152 -3.1621518 0.9710965 2.5860014 -0.25046158 0.5418025 -6.008639 -4.6535106 0.80462235 -3.299908 -3.5349078 4.1621923 0.3370247 -5.4068284 4.109388 2.6584694 5.0389977 5.4547067 -0.6389717 -5.089757 0.018910132 5.731474 -5.9393177 0.7780508 -6.507242 -2.3688278 -1.2377924 -6.0204663 3.9581652 -6.9586234 -1.5988042 -3.0911174 0.6793561 2.5819364 6.9682884 0.9437643 -0.75759923 1.9676709 6.4670506 10.459952 -6.0998464 1.6669313 3.856715 -0.07812835 -2.4574828 -7.5150185 -8.271234 -4.9097123 6.8111324 3.0559695 -1.8607119 5.930115 -2.4483943 4.091012 -1.2419324 1.5032558 0.6607645 5.5524545 -1.9755223 3.2868905 -3.3340688 3.1327286 1.6973351 1.0296872 2.2005053

5,7,3',5'-tetrahydroxyflavanone is a tetrahydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7, 3' and 5' respectively. It has been isolated from Cyperus teneriffae. It has a role as a plant metabolite. It derives from a flavanone.

-0.775642 3.3577747 -2.288073 -2.4067233 0.7638269 -9.184136 -3.8739243 1.6401578 -1.1513398 1.458995 6.5499535 -7.221924 1.2914423 10.610681 6.666583 0.7055018 5.9861097 0.774698 -10.344039 4.934427 -2.6916413 -7.9422894 -0.07475433 -5.502661 1.6262169 1.1899978 0.39955884 7.9874864 -2.4026651 -1.3209758 -0.3501204 -2.0028963 4.261924 5.101691 0.2497368 2.2418587 1.0213906 1.736407 -0.91197246 -3.85659 -2.6305046 1.8744055 1.1374255 -6.203367 2.4882143 -3.4979758 7.5477924 -4.02623 2.2356222 7.4546056 5.2847104 -0.33079284 3.0888536 3.1521068 -1.7606214 4.2398047 -7.7225137 -2.6657047 -2.2041645 -1.1009104 -3.1134079 -2.242911 -2.7076805 1.7274437 -0.07703276 -3.6421678 2.0202515 3.0225031 -2.2784936 3.8077974 4.4784927 0.71163493 0.37808287 0.44728673 -1.2742695 -5.537464 -7.374405 10.575588 8.114951 5.8734436 2.1567547 -4.121937 -0.57855034 -0.22573277 1.0516089 -1.9160725 -0.7461901 -4.674195 10.040374 -4.174115 -0.5561866 -6.0699506 -2.1347172 0.09079792 0.57865 1.808366 1.340206 1.6217787 -5.7472744 -0.03593766 1.0128604 -9.309465 -8.504094 -1.8172103 6.4360538 2.1433604 -2.1587179 -4.1801305 2.0211592 -1.5949211 -4.4288826 -2.5289736 -0.9578483 -0.5680827 7.912434 -5.28063 1.1511153 -3.53536 2.6770225 7.6331644 4.5560246 0.09314081 -4.951667 -2.9705985 9.233105 -7.381294 5.1702085 5.7799788 -4.168909 2.5294626 1.700413 0.74341166 -8.038488 -1.9413612 11.821249 6.2396097 -0.3773913 -2.2002714 3.7211504 8.29476 -3.4072514 -1.6012697 -1.5413941 5.1889772 8.881984 -6.364659 -2.3998344 -0.26043576 -7.0385823 1.6926411 8.128493 -2.7687774 -14.223759 2.6734583 -3.0778964 2.1423454 6.84736 0.20648164 -1.9693779 -8.594712 -2.9952064 0.61330295 -1.0203124 -3.4196005 6.219443 -2.76653 10.614208 3.6007528 -2.1623957 -7.2265625 -2.404014 2.0851576 6.76536 -2.6970832 1.122091 -1.9016315 2.6969235 1.6055019 -2.6994228 6.078025 3.1543465 -1.3279042 -10.409638 -3.850237 3.8942857 -2.3106177 -4.6087184 1.7913808 -0.25645554 2.813747 3.6718328 -0.8825387 1.3170536 1.3742392 -7.63593 -0.594786 5.72727 -2.8315248 -1.7527084 -1.5804267 3.2772038 -8.734988 3.248835 3.4842987 -0.74018806 -0.906784 -2.0323427 -2.668485 4.110739 1.8582833 0.2504771 5.7351446 -0.10370168 -3.1175134 3.7911963 0.9243321 0.09063338 2.5985816 -1.5339766 -3.2471282 2.9886134 -8.436612 -4.986369 -1.3932294 -5.219277 -2.9358742 4.5005655 -3.0609183 -0.035967886 -4.4673047 4.835208 7.712932 4.822383 -1.6532812 -4.220188 -0.20399958 -3.048781 1.7119751 1.0213491 -5.100079 0.14779335 -6.0264325 -6.485074 0.45486283 1.8666224 -2.1299374 1.8121662 -0.36300188 -1.3914711 -0.25192508 2.673023 8.334023 1.0693809 2.2634213 -3.5405772 -0.64827096 3.6933532 -5.4950957 -0.23488647 -4.8862906 -0.9117733 -5.7319145 -5.502231 3.3124375 -9.176612 -0.092751436 0.72343206 0.40588033 0.88604903 4.656361 2.892937 -3.0766232 -0.16072457 10.940466 8.147463 -2.088968 4.1669564 4.9130087 1.4729023 -0.70847684 -10.139202 -6.257149 -4.6744604 6.484882 6.8263264 -6.39051 1.5213271 -0.6373736 9.257273 2.1152139 -0.19453636 -0.09602625 7.248473 -0.6592505 1.2426559 -6.3982306 4.327311 -5.1934776 2.1088836 4.4154124

Finasteride is an aza-steroid that is a synthetic drug for the treatment of benign prostatic hyperplasia. It has a role as an androgen antagonist, an EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor and an antihyperplasia drug. It is an aza-steroid, a 3-oxo steroid and a delta-lactam. It derives from a hydride of a 5alpha-androstane.

5.31888 2.658249 -2.817963 -2.0977278 -5.2617035 -3.7539842 -4.7126894 0.20656498 0.63442093 8.900589 6.4937305 -3.978191 -0.73483765 8.094111 1.9936408 -0.98693746 12.8231945 -0.9729354 -9.0598545 5.053102 -7.3931575 -8.4077635 -6.4213305 -1.9525563 -8.413778 0.45685804 2.2061846 14.201332 -2.0190742 -5.2353034 1.3022733 2.8730247 0.57822055 8.781063 9.191017 1.634577 0.88248503 2.8979006 -4.296113 0.09512298 -2.9613502 3.6015532 8.787115 -3.5065918 -0.8162814 -3.627456 5.038558 -2.633027 -2.382521 6.04362 6.7469635 -3.7744515 6.705313 -0.13406526 2.5718865 8.444887 1.1050556 3.7744884 -2.6253924 -0.33487958 8.680835 -5.4996552 -0.5854418 8.83045 -4.109873 -2.5490928 4.5025873 5.4191093 2.5650706 -1.5574123 -5.799631 4.9021797 -7.4563403 0.34548593 4.849553 -5.387666 -3.3423872 5.7558823 5.3895473 4.9514995 -2.9999938 -1.6905973 -0.4781381 8.9867 3.4594312 -8.101396 5.3931737 -3.426397 10.677066 -4.3159423 3.5155995 -2.395084 -1.6133866 4.664774 -1.9182072 6.762713 -0.22009666 2.255939 -3.0496967 -1.2953266 -0.040910274 -7.6799226 -6.3625913 0.5203468 7.070224 2.5415428 -7.967507 -7.1330276 -4.7863803 10.800761 -9.495865 -1.7677081 1.5667396 -0.4910503 4.971244 -4.978479 1.2253525 -0.30144197 4.0249414 7.0024557 1.4148672 0.525673 -2.6873689 -3.2969024 7.3642354 -10.734418 11.294399 3.5555346 -2.9494078 11.622202 5.548254 -0.25344148 -9.450005 3.2639616 7.3577824 2.1333542 5.506907 5.179016 7.262486 7.4888744 -6.6088967 -2.9650621 1.2900656 5.6936216 2.5715892 -7.145947 -5.957523 5.7995887 -6.4923363 0.27636474 -2.8990948 -3.4423003 -7.249656 3.1249201 3.4600275 -3.6357157 4.1610265 3.121706 5.4410295 -4.713535 -5.220365 1.9808547 -9.091345 -4.1838894 -9.073481 -2.542628 9.449185 4.828128 -6.9448023 -5.0394974 -1.043999 4.6267886 2.2403495 0.16784722 -0.56533974 -5.8115826 1.5714822 10.012031 -3.6086576 3.7029028 1.3668067 5.034282 -5.533871 -0.05318667 5.3941402 -1.8528521 -3.5091214 1.9018246 2.4386299 3.0225677 7.532381 4.904209 4.5149035 -6.5998254 3.3271778 2.4540324 6.3992047 -1.1243465 2.2583022 3.437048 2.3292572 -2.8416722 5.2052207 6.604848 0.8718644 6.6846414 2.4738252 -0.0090005845 1.9702265 5.458328 1.2216167 2.1853824 -3.0927768 -4.173714 5.020413 3.873736 -0.99405104 -2.6519566 -1.828509 2.5108743 6.979941 -7.7035203 -4.2598157 -1.6576157 -1.030847 -6.1968217 -0.85406953 -0.3019848 0.00834626 4.6356287 -1.6578486 2.035253 3.6990852 -2.2749379 1.9534256 4.3161917 2.850097 0.9587638 1.406077 -8.254557 -2.3880656 -0.23074496 -2.572616 0.93116736 -6.354955 -1.6445453 0.832901 4.6748343 -3.7697494 -3.6813927 4.169159 4.2496233 0.31997126 3.652403 -2.596724 6.959533 5.482598 -4.2315865 2.2630572 1.4746214 -5.7096186 2.844324 -7.1125407 -1.0429031 -6.665386 -4.5101304 0.80585444 -1.6113547 6.079748 -0.04415098 -1.165394 -2.5473578 -3.7592046 5.5858655 8.360809 -6.441416 -2.7903824 1.0664905 -1.9388242 -6.0164113 -11.27256 -4.498032 -2.7944932 2.999959 2.1090522 -6.7105856 -11.011646 -0.82158077 10.428062 4.231394 3.7280214 -1.901195 13.589806 -1.7818214 -3.783262 -10.906405 2.9990773 0.11722079 0.80025905 4.9067802

2-oxopent-4-enoate is a 2-oxo monocarboxylic acid anion. It derives from a pent-4-enoate. It is a conjugate base of a 2-oxopent-4-enoic acid. It is a tautomer of a 2-hydroxypenta-2,4-dienoate.

1.2714559 2.0913296 0.9992184 -1.8638728 -3.2529407 -1.6858486 -0.6062523 2.0447521 -2.2621605 3.4174476 2.0890062 -1.1110005 1.5507478 -0.7348402 -0.7165107 -1.458303 1.8467305 -0.39384696 -1.4001529 1.484979 -2.253054 -2.3931773 -2.213167 -3.015191 -2.10082 0.17418113 1.8663313 2.7833161 -1.7655421 -2.2293227 -1.9938587 -2.4047077 -0.495645 1.5721159 2.1120849 1.430578 -0.37502748 2.9451146 0.10394226 4.261898 -1.4030557 -1.0752232 1.1892481 0.8443141 -1.1384144 0.50147533 0.02754438 -0.49010396 -2.5090027 0.47750562 3.671871 -0.0059168637 1.782257 2.6167417 1.9280204 1.0794674 0.18741904 0.5187464 0.069397315 0.25017118 0.72423774 -1.1041653 -0.97617567 2.53948 -0.74789804 1.5148313 1.4061693 -0.4494938 2.2574186 -0.9719714 2.2797449 1.6457913 -2.3541868 -0.29004514 -1.1676854 -1.1045324 -3.0677793 0.3754741 0.703683 1.5878873 -2.23027 -2.4517033 -0.16224006 1.4671177 1.7310433 -0.99331915 -1.468126 1.3581623 0.71309114 0.0015523359 -0.730636 2.4053893 0.62310916 2.4562302 -1.2899635 0.022949204 1.2940772 -2.159732 -1.549901 -0.41556418 2.1752484 -0.7344387 -1.9391053 -1.5492493 -2.71815 -0.63462704 -0.83098775 -1.4808912 0.92963773 1.9478127 -0.0340305 -1.0532181 -3.1272838 0.26178756 -0.51151323 0.19084293 -0.14946145 0.06725457 1.5985073 1.549868 1.1040672 -0.90130824 -0.6571733 -1.3810804 0.42495313 -1.8901246 1.6921592 1.692668 -0.34040785 0.067494184 1.6119616 -1.7786205 -3.2537398 1.3235363 1.4172312 0.14477283 0.5176499 -0.4657302 4.496176 0.46288103 -0.16806278 -0.33127668 -0.29624063 2.6830277 3.3462396 -3.5161514 -0.46723863 2.4875703 -0.5911969 0.95665956 -0.88189566 0.2089185 -2.721584 -0.20267832 1.8991585 0.28033203 1.6051039 2.449348 3.124058 -0.39030918 -3.5929189 2.098406 -0.10217829 -2.0627882 0.19563389 -1.905941 1.9554236 2.0934172 -1.8214023 1.1383759 -0.6376576 1.0897262 0.1960176 -0.7687262 0.6181666 -0.33300495 3.4095805 1.9579469 0.45231718 -1.6679753 2.5165312 -0.34171927 -1.3851633 0.62400144 1.7209651 -0.9361503 -4.176943 0.25985143 0.7263182 0.73406285 3.4085393 3.0503318 1.0542462 -0.51435167 -1.9455429 1.9045086 2.8949552 0.86670136 1.3311285 -0.27208203 -3.5215862 -1.0887617 1.5628282 2.0881243 -1.4625182 -1.9622089 1.8169394 -0.6495391 1.6322464 1.6676764 0.14705509 1.0808059 0.9047109 -1.1355827 2.8222992 -1.3866769 -2.0140734 -2.9004378 2.4587755 0.41575322 0.5145497 3.7967064 -2.0285573 2.258716 -4.9049225 1.4219179 -0.2228271 0.6990211 -2.15546 0.40464017 0.54621446 0.55307883 -0.14276278 -2.2203357 1.5747169 -0.24874617 2.3005574 -1.6357538 -1.2750152 -1.2034591 1.6576265 0.11839055 0.608216 -1.6076638 0.4314316 -1.6303617 -0.2384166 0.39359355 -1.4772748 0.791193 2.3054283 1.8394554 -0.6032764 0.22913139 0.49775818 -0.34569186 2.7476768 -2.0639994 -0.0152165145 -1.9234029 0.79468346 -2.379131 -1.0359552 -2.973545 -1.7890215 0.8637184 1.6926888 0.30837327 1.9983336 -1.0146517 -2.249412 1.0174731 2.1031723 2.8316534 0.5688513 -0.77518165 0.9544978 0.9998112 -0.54554 -1.6399889 -3.3192348 0.45294833 -1.6117129 -0.7390685 0.7141539 -0.87356097 -0.1465513 -0.5986614 0.9313694 0.64912844 3.9049067 0.31498927 1.8749027 0.30345285 0.4830921 -0.7594833 0.595073 0.12408022 1.828787 1.8188909

7-methoxypraecansone B is a member of the class of chalcones that is chalcone substituted by methoxy groups at positions 2', 6' and 7 and a dimethylpyrano ring substituted across positions 3' and 4'. Isolated from Pongamia pinnata, it has been found to induce quinone reductase. It has a role as a metabolite. It is a member of chalcones and an enol ether.

-2.467561 3.3916392 -1.7791342 -2.473836 -2.5635223 -8.886711 -7.785197 -0.6905584 -2.9953582 4.10833 10.68368 -8.870139 0.94265306 12.277182 7.811233 -2.9931552 6.8412924 -0.033504862 -12.59688 6.1407156 -2.2518883 -5.659174 1.3909091 -4.476423 -1.7517687 -1.0172157 -1.8977822 12.247172 -0.76365364 -5.919403 0.8825941 -3.6303773 3.4153676 5.6119566 2.1819804 5.455273 1.0778446 3.7251453 1.7964346 -2.1732547 -1.0907832 5.75521 1.1262712 -10.320259 1.556348 -6.7958536 6.1111894 -6.456528 1.5425869 4.4531894 8.764717 -3.8207655 6.0368414 5.4378633 -1.1776991 3.2859662 -4.7591686 -4.788693 -5.4893036 -3.004356 2.1219256 -3.0738475 -4.067219 6.056467 -1.1687489 -2.5153415 2.5439184 2.344674 1.1644614 2.773499 -0.8266798 1.0433813 -5.5577426 1.4659672 -1.2107693 -3.5384567 -7.1575155 10.40691 6.618369 9.349733 0.37467772 -4.8285146 -1.457139 2.7578888 2.1804793 -4.3763986 -2.69243 -6.878662 10.882334 -1.0157644 -1.4995012 -4.6709504 2.6411712 0.74314165 3.364815 4.1601977 2.0820575 1.0917267 -4.736138 -3.2678158 -1.0071107 -9.535732 -5.7765765 -4.0269284 2.3045938 4.9496007 0.80512816 -10.438849 2.0488641 3.9461904 -3.7427447 -3.0885916 -7.8023725 -1.9959772 6.768473 -2.2824569 3.449873 1.190732 1.8841087 5.3490686 4.6333694 -1.1520603 -1.3407876 -0.21504863 10.427003 -12.065365 8.325906 4.3051643 -4.0531836 4.8071547 5.219405 0.6058166 -10.590927 4.4894547 8.671963 5.9546404 -2.8769934 -1.520783 3.4017856 8.328196 -4.4982243 -0.8700459 -3.9353638 3.692881 10.180766 -10.5457535 -3.1036532 0.18165606 -5.3513083 1.0815742 5.473335 -5.3218236 -14.3462515 4.7930717 -1.4541833 1.6343801 4.491165 0.49186844 4.456574 -9.364446 -6.032274 0.392658 -0.78166044 -4.2438316 7.921416 -2.6405969 11.812967 9.277385 -8.782819 -4.3361425 2.462104 5.1488037 5.107096 0.73298365 2.9784038 -4.3493605 4.886142 3.0505311 -6.138248 -0.65933955 6.6664276 1.105194 -8.146924 -4.259283 5.0625615 -1.0574162 -13.451677 6.0727725 0.10256451 2.4949682 4.6819715 -2.0111692 1.2903354 -3.0875134 -2.5198622 -3.0078537 8.375646 -2.8949175 0.7631178 0.4684248 1.0834428 -5.538884 1.8672105 5.1150327 -0.29508284 0.29514614 2.2426462 -1.9032185 5.7417154 3.5109494 -4.282621 7.349901 1.2569668 -4.0421343 6.624013 0.3607535 -2.6586926 4.803357 0.94855344 -1.2170503 6.4608455 -7.619469 -7.2789264 -1.7679331 -7.4897575 -0.12087041 7.6741557 -0.67551726 2.8651252 -1.6758415 5.971671 12.525971 1.1589262 -5.752202 -0.4384754 0.86942494 -2.9756353 -1.2100664 -3.0084624 -5.9477763 -0.5827564 -1.8757 -4.653956 0.28915852 -3.039009 -2.9689667 3.789326 0.6333766 -6.5303974 -0.21564066 0.12679946 6.289679 5.7880898 -1.8369589 -3.3509705 0.42868146 3.6117823 -3.276358 1.8496343 -7.2385416 -3.80939 -5.448864 -6.601405 3.8660998 -6.0336523 -0.9844476 -2.293737 1.2277282 0.8246765 3.0131223 3.31322 -5.6671147 2.6290565 10.460317 9.983885 -4.328378 4.2308264 8.370798 1.8659227 -1.8892455 -13.272876 -4.428719 -8.769365 9.277889 5.2052016 -2.2156072 3.898153 1.3575957 6.0238457 -0.21858615 4.515375 2.4609983 9.178198 -3.7080462 1.3909053 -5.7388926 1.7112286 -0.34618306 2.546799 9.000576

2-(5-amino-4-cyano-1H-imidazol-1-yl)-5-(4-methylpiperazin-1-yl)benzoic acid is a member of the class of benzoic acids that is benzoic acid in which the hydrogen at position 2 has been replaced by a 5-amino-4-cyano-1H-imidazol-1-yl group while the hydrogen at position 5 has been replaced by a 4-methylpiperazin-1-yl group. It is an aminoimidazole, a nitrile, a member of benzoic acids, a N-arylpiperazine, a N-methylpiperazine and a primary amino compound.

0.24838048 7.239851 -4.5335145 -3.5887935 0.8684255 -6.005189 -11.992062 4.1595645 -0.48258537 1.451321 4.3804874 -8.730323 -2.2241454 10.037919 0.085781425 -1.6536052 7.3518353 2.177167 -9.901836 5.921404 -3.3859193 2.5521383 -7.308483 -8.036768 -0.9630929 -2.1319401 -0.98116636 8.181244 -3.6013353 -5.6787295 2.1767511 -0.06255953 2.5805912 6.3472123 3.408004 1.2523252 4.330678 2.996958 0.86952746 -4.259214 -3.9353616 0.6929893 1.71999 -2.2464237 -4.25319 -0.33001968 5.9655347 -5.0750484 0.28619894 -0.91654533 6.731036 -0.6412571 1.8982748 2.0386994 -5.0925646 -0.6861907 -2.7984767 -3.8396761 -5.1843066 -4.722579 2.6301188 -2.1789536 -1.4025773 4.2489195 -3.0293622 2.221724 -0.5742276 1.7936941 -1.8608838 6.0355253 1.1627295 0.34620476 -3.157412 -2.411967 -4.0726633 -0.4271103 -1.8628746 7.1404586 9.872499 9.1322365 -0.49565804 -5.22507 0.41044128 7.8384113 -0.0050987154 -4.492004 1.8024578 0.22759578 9.810809 -5.642776 -3.866087 -7.037636 -1.3001971 0.24002606 -3.212643 4.119272 -1.7487128 -2.1458704 -6.728264 3.5474567 0.05062425 -4.40165 -5.9037604 0.36646727 2.1020098 1.7476182 2.2694123 -1.8658298 -2.5098147 5.1901035 -0.7527981 -1.7317975 -2.3018544 -3.579396 10.580782 -4.2137847 0.26906997 3.5381305 5.3945966 6.5296 2.2791173 -4.9973373 -5.511583 2.155169 6.5404186 -4.8486037 10.805616 6.304778 1.1334924 4.2950783 3.067181 -0.50750023 -11.618826 6.778229 10.146759 2.6692543 0.587695 -2.076961 4.4867287 6.4852242 -0.10030107 -1.0987092 4.844014 3.1516938 8.243299 -4.357577 -7.4703593 8.658626 -7.274032 1.1777818 6.927856 -4.644729 -6.956436 0.5765757 -2.439799 -0.17025453 3.129069 3.382728 2.4223273 -3.6275733 -1.5479003 -3.574325 -9.739735 -1.5236174 1.2423257 -9.454943 14.115039 4.6294894 -2.6476076 -4.6991105 -3.0435324 -3.544611 10.525354 -4.4764557 4.762009 -1.6708263 2.4721901 0.7867404 -4.4200377 2.7828927 6.1789727 -0.76330256 -1.3320719 -3.0842323 6.166762 -1.5175475 -4.4749317 3.7430308 -0.97562 1.8532343 11.868616 -4.3362017 0.36484247 -1.81492 -5.7724905 -1.1486377 -1.3271079 -2.909779 2.1256073 0.3190836 6.1039915 -4.957377 -0.2799661 0.48875806 1.1142801 4.0223417 4.2871428 -6.0621004 5.662752 3.8838875 0.95455176 6.291249 1.8150855 6.3060575 6.9422374 2.8920004 0.90875894 1.3921756 -3.3001895 -0.29866317 6.000485 -11.447883 -7.38647 -6.390724 -6.830777 -0.9169295 1.699558 -5.8713913 1.5639865 -1.5813549 -1.016585 7.250642 0.43264303 -0.9812656 -0.11915816 2.6412747 -1.4619558 1.4280443 0.97850794 -0.98673576 1.629944 -9.698497 -7.628177 1.16905 -3.396069 -3.4404857 4.498316 1.4441606 -6.5478864 1.0040574 8.033515 7.169487 9.64083 -0.76191413 -5.4194603 2.485526 4.3273406 -7.5688334 1.7239155 -9.28298 -2.5163507 -2.2848284 -6.3603196 3.2029715 -5.5929065 -2.8306878 -0.7743828 2.1438522 1.6479518 3.402656 2.5887935 -0.3518588 1.3338012 9.872587 12.910817 -6.234089 0.3975789 2.759243 -6.8509946 -2.0112677 -8.381206 -4.109067 -6.083701 4.135737 2.7239416 -3.7764077 0.83704937 -2.031909 0.51266515 -2.5431423 3.1246402 -1.4805989 9.824131 -5.2907834 1.4565599 -8.266684 0.73862183 2.2657938 0.35008007 3.8801851

Ins-1-P-Cer(d20:0/22:0)(1-) is an inositol C20 phosphodihydroceramide(1-) in which the N-acyl group is specified as docosanoyl; major species at pH 7.3. It is an inositol C20 phosphodihydroceramide(1-) and an Ins-1-P-Cer-A 42:0(1-).

5.3645325 13.8869095 5.979 -15.022096 5.9855204 -20.280514 -2.9865098 12.541348 -4.803647 7.6998935 11.038102 -19.953068 -3.2842138 -2.4967463 -2.07736 -8.431075 -2.2658153 7.0049343 -28.604475 3.7886171 -16.74986 -16.146944 -4.6655054 -28.097307 -10.357245 18.800156 2.8630416 17.155182 -10.691246 -13.533042 2.7679994 -10.124637 -0.31298 16.46374 21.646858 11.673749 -11.879447 32.0564 -4.9148517 15.213162 -11.895142 -18.113607 -3.1486454 -5.1321793 -22.367746 0.3842455 -5.1252627 9.627439 -2.7847211 21.522058 19.472439 6.5959964 16.533443 10.836641 18.861895 -15.000296 2.6623142 1.8493581 -1.9539928 -7.6069317 -0.39612308 -25.865559 5.738953 27.42329 9.695033 1.505677 0.37733936 -0.8583705 4.508557 -7.4615197 -0.9895708 -1.6396227 -14.132038 14.356794 -4.0097113 -0.9263555 -9.4711895 15.40925 1.9631402 3.6433609 -17.719362 -9.383243 -1.3375494 14.530494 5.578863 -1.9801629 14.156634 8.451235 27.514286 -12.108991 4.945788 11.686089 10.415625 -1.6897051 1.0543047 -1.883962 8.991225 0.99600595 11.642155 14.789987 15.977999 11.839712 -16.39467 -1.8307673 -12.319436 9.535235 3.1705961 5.7890534 8.593364 20.49277 -14.8439665 12.906631 -13.461089 -3.2165427 11.083701 -6.5122147 -4.7829156 9.505488 17.685345 22.037075 27.833559 8.991737 -23.601027 -2.4639115 9.570411 -35.836414 21.262358 26.262428 -2.7106283 16.845297 22.976004 -10.422661 -12.830504 15.062881 23.981508 -4.262116 13.197547 2.8978095 33.635216 3.0168629 -15.641233 2.0923512 3.237824 11.363528 32.63025 -31.737867 -12.784264 29.495842 -22.164581 3.925369 13.078104 2.154679 -18.332031 6.95926 -11.0079365 9.965923 21.503853 25.391548 36.932774 -3.8376508 -26.315018 5.568988 -17.33747 -15.038897 17.81198 0.7627276 25.048464 20.134289 -15.058461 14.014082 12.808678 24.549286 0.5994692 -0.4663859 -6.1925836 -1.5793554 32.972565 16.366526 -25.275385 -27.357176 -2.694452 3.8596902 -13.844605 3.4885259 14.961172 7.0015593 0.29429057 -2.8865547 12.22758 17.662853 8.175483 28.638525 -5.2459693 0.1632148 -2.1388278 6.041355 1.693359 14.910882 8.931209 2.5906212 -14.247563 -3.4110134 10.419348 13.075206 6.8147573 -14.578946 0.4422946 2.4555416 2.1799572 6.8081145 -6.165699 -3.3308494 6.5319533 -17.44706 -3.4359226 2.5631166 -16.696291 -1.2141726 21.243927 -10.553704 -8.375222 8.4735 -9.791809 12.8508625 -36.37974 -2.4122105 -13.930781 0.5382575 -11.419855 16.492931 -0.37942457 5.121064 -11.899901 -6.917494 0.54732025 0.26160038 27.952656 1.0035542 -12.522404 1.4156936 -2.9477274 -8.0167055 5.998439 -6.590526 13.814085 8.19664 4.8119016 -8.969692 -7.808094 13.221688 12.983837 -0.94352275 -4.2782526 8.428726 6.037604 -1.0411232 10.548882 -22.383335 -16.46187 -5.5680265 0.49284977 -12.751188 0.6085565 -8.74696 13.981994 -2.1893005 4.2213454 -11.758994 19.79707 -7.9275784 -10.414883 -6.210085 3.1096542 2.4789164 9.8406315 28.845516 -9.6404295 -14.644424 17.779428 -4.941152 -6.7134385 -6.133812 -6.8023276 -5.6004276 23.162518 3.5813448 0.9690679 -4.0450153 16.439322 11.659912 18.696747 1.8453791 20.227795 -2.1394305 8.269099 -21.530752 8.616571 -1.7647065 13.515457 12.589396

2-fluoro-D-phenylalanine is a 2-fluorophenylalanine that has D-configuration. It is a 2-fluorophenylalanine and a D-phenylalanine derivative. It is an enantiomer of a 2-fluoro-L-phenylalanine.

-1.0240008 3.3846824 -2.1596153 -2.0426102 0.73571914 -4.578841 -3.6157553 2.1540425 -2.875458 0.9375683 2.4125142 -4.0835166 -0.034972988 2.8473725 -0.43548667 -1.9299603 0.65557486 -0.117066056 -7.0013056 3.8452303 -4.5447826 -2.3446236 -0.9132247 -3.8775811 -0.44185838 0.12969318 0.062101603 1.598054 -0.47837502 -2.4376636 -0.55549693 -0.53368336 2.488563 2.2372441 0.0037233494 2.3607907 2.3471081 1.6876882 -0.17517759 1.6104467 -2.5905728 1.0203537 1.0880992 -2.1289146 -4.1648693 -1.0499141 2.1039875 -0.89909285 -1.636817 1.8307241 3.3875446 1.8622497 0.39824075 1.9184203 -0.9651822 -0.075793825 -0.13155746 -2.902554 -2.3693097 -1.2999461 -0.5210024 -0.7372439 1.9717791 2.1786814 -2.055222 2.9571514 0.61270845 0.67249554 -0.58177495 2.5665221 -0.016725361 3.1460867 -1.6727533 -0.27668655 -1.6969157 -0.67788005 -0.49940103 2.4825904 2.8890278 3.9098692 -0.085645884 -2.0694118 0.29857433 0.47327343 0.1926687 -2.1690774 1.0057309 0.53489876 4.391661 -0.17102224 -1.5438095 -3.5029867 -0.30015397 0.9662435 -0.17042048 1.2865608 0.09408893 -0.62276065 -4.843301 0.65898967 0.6324819 -0.75095594 -2.565688 -2.6084046 0.6382587 0.44309437 0.6028477 -0.39098755 0.06268107 -0.00077947974 -0.7826575 -2.7237365 -2.464331 -1.3286334 1.567623 -2.7753139 2.8575668 2.2145672 0.8690176 3.3653078 0.6727403 -1.1536666 -4.1301656 -0.24786204 2.7572494 -2.3271308 3.318055 4.073135 0.23839502 -0.35144958 5.6910453 0.7570196 -5.0172286 2.1978307 5.333626 1.642526 -1.7468332 -2.340039 2.9452198 1.2176895 -0.7516482 0.90703744 0.7849339 3.372196 6.607784 -6.0865493 -1.958225 1.790931 -3.8778288 1.6284359 4.2634916 -3.505575 -5.881565 1.9313198 -1.1744792 0.56424254 4.5198264 1.7203221 0.8498496 -3.4782434 -1.7847844 -0.8444482 -1.502575 -2.8132067 1.4816422 -3.3599987 7.412531 1.3648125 -1.1104664 -0.9495214 -1.3794279 -0.09480244 4.6039724 -0.7574771 2.1874077 -2.8268921 6.2006288 0.6063195 -4.480966 -3.0242145 6.0486193 -0.8203639 -3.9219847 -0.91914076 4.8460298 1.996502 -4.3387055 0.4192035 1.1965697 1.0542387 5.491685 0.7772734 0.31066805 -3.9063327 -2.8169062 -0.79693305 1.0361149 0.4367802 -0.6015219 -0.8273516 -0.91549194 -3.978919 0.64995134 0.678571 0.2448705 0.2902645 0.8229083 -1.0936707 4.5941777 1.857425 -0.31185627 4.0368896 0.9690552 1.627828 3.8472404 1.1296436 -3.6713963 1.241504 0.48318255 -1.8398087 0.57181835 -2.1596177 -4.1456275 0.20710717 -6.1122704 0.5149924 0.67966706 -0.30532864 -0.45415288 0.31827292 1.4274328 6.1824636 -0.32687017 -2.0447326 -0.65018815 0.92120826 -0.5375338 0.74679613 0.8260312 -0.6011487 0.5353154 -2.1417665 -1.7254277 1.8045602 -0.019529486 -2.525402 1.286552 -0.1584687 -3.4121127 1.4574815 2.0347729 3.8943832 1.3421206 0.09728582 -3.7116873 0.19915637 3.4790704 -4.062045 1.556362 -2.4827025 -1.7949702 -2.4222553 -1.9240334 1.7622116 -2.5463362 -1.3831398 1.1347651 0.49580637 1.2053053 0.5083126 0.7451601 -0.015170917 1.8957356 4.425581 6.4968324 -2.2391334 0.7860731 1.6779686 -1.2573624 -1.4081328 -4.6076894 -3.181472 -2.5311732 3.7322838 2.8579485 -1.834207 2.2756321 -0.5178445 2.5089586 -0.6139766 3.697237 -0.12931234 3.9857364 -2.2800047 0.23297888 -3.6987314 1.122662 1.6262498 1.4504114 3.2110138

Topramezone is an aromatic ketone that is phenyl 1H-pyrazol-4-yl ketone in which the pyrazolyl group is substituted at positions 1 and 5 by methyl and hydroxy groups, respectively, and in which the phenyl group is substituted at positions 2, 3, and 4 by methyl, 4,5-dihydro-1,2-oxazol-3-yl, and methylsulfonyl groups, respectively. A potent inhibitor of 4-hydroxyphenylpyruvate dioxygenase (HPPD) that is rapily metabolised by corn to non-active substances, it is used as a herbicide for the treatment of broadleaf weeds. It has a role as a herbicide, an agrochemical, an EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor and a carotenoid biosynthesis inhibitor. It is a sulfone, a member of isoxazoles, an aromatic ketone and a pyrazolone.

-0.48079443 4.676275 -5.905309 -1.1552421 -1.2383988 -4.5536823 -4.435719 4.204982 0.6931758 0.21016227 5.193352 -7.376364 -0.17259395 10.501859 3.16345 -3.8060105 5.141827 1.1406687 -9.342841 5.5712056 -5.7571115 -2.3886788 -1.0336453 -5.169549 -1.5153586 -2.9722862 -0.6157002 7.626058 -4.0827923 -4.8769145 -1.6101006 -1.4772729 3.6934693 7.6786814 2.569562 5.245682 2.7074895 3.762945 -0.55247754 -1.1701646 -1.1346953 1.5380815 1.9991473 -4.0601506 -3.9019587 -1.141005 8.617003 -4.6144385 -0.82676023 3.2045534 5.7946925 -0.29567894 4.2047257 5.1715736 -1.849302 0.9772474 -3.7392683 -4.7315497 -5.063113 -2.1785922 0.9918047 -0.42138734 -1.4033897 2.4622593 -5.387881 2.0497859 0.41463202 5.2441993 -0.11154407 2.2538793 1.5121171 0.6163842 -2.7289393 -2.8224509 -2.2027848 -2.8503711 -6.46763 8.250184 10.679051 11.088744 1.1477987 -4.437501 1.0086496 5.909955 -1.3582755 -2.3765752 -1.3737074 -1.294199 8.518119 -4.582537 -3.7685494 -3.4796584 -1.4312875 1.2744989 -2.6881793 4.096769 4.189719 -2.1704664 -5.3546495 1.9214307 -2.8449507 -6.1196685 -7.4572644 -0.38491577 4.9854717 0.14658758 0.90071833 -4.732931 -1.1414869 3.7053142 -4.2666855 -1.0592226 -2.4224994 -3.3774152 5.475492 -1.748668 3.5437913 1.7888266 1.8947823 8.908323 2.9875035 -1.9541767 -6.2295995 -3.6061382 6.5927424 -5.818401 10.284848 1.9560422 0.16931589 5.1132174 7.042702 -1.5187138 -9.055465 4.451471 8.193511 1.5711017 2.831215 -3.672631 3.4271116 9.630218 -2.7878869 -1.5749445 -2.2292988 3.682008 8.710052 -2.8644197 -5.2974386 6.119683 -4.7236195 -0.16648182 6.2297454 -4.499087 -9.8159485 0.21275285 -1.9703213 -2.7175713 4.7680373 0.38955864 1.0520954 -6.381604 -1.731818 -0.13053954 -8.086537 0.032623887 3.3593955 -7.9891996 8.98962 5.409238 -4.820908 -3.3142653 -0.36353046 -0.8380787 7.9245768 -0.9161915 1.6145027 -1.8201503 2.989071 3.0747292 -1.3098936 1.2601168 6.313471 1.5390049 -3.3353798 -2.5278277 4.0092907 -0.6984102 -7.144148 5.9332466 0.69148505 0.8219452 9.433173 1.8325472 1.5629185 -0.83895206 -3.5538423 -3.0353787 2.5234606 -2.034097 -0.6658394 -0.28419775 0.39776543 -8.710735 2.960559 4.6414423 0.28761068 4.6615057 1.7242826 -3.0783389 5.885245 5.615162 -1.8743606 7.041662 2.4157724 3.5261915 7.083297 2.0496776 0.22575466 1.8064195 -4.6298985 -0.9085752 1.5270628 -8.950077 -7.7795296 -2.7182555 -6.7691717 -2.2098794 4.8534813 -4.4055185 3.141113 -3.5449934 1.6161063 9.700787 1.6952466 -1.5237082 -0.07683557 1.1828877 -0.10792332 1.5094029 0.81963634 -0.03190741 1.2275673 -8.03101 -6.045687 1.354095 -3.3113008 -3.0648835 7.7133656 1.6369256 -5.6328726 -0.46589792 3.4118154 5.164411 6.736324 -0.4694916 -7.2942266 0.9207569 4.0587096 -4.3590026 2.6436718 -7.331589 -0.103048466 -3.8089066 -5.353447 3.0337243 -6.95706 -2.0091014 -0.6795026 1.7419733 1.8622477 4.8832793 3.443295 -2.7423925 1.9996344 10.407398 9.924316 -6.94138 2.824526 3.554914 -1.5813625 -4.5037584 -10.023229 -5.070484 -5.521428 7.8126826 5.6589365 -6.5883574 1.9127786 0.0393389 5.1979146 -0.85012 4.75782 -2.2551346 8.37418 -4.5967574 1.2986491 -5.8956223 1.4304104 2.8104594 0.9463621 3.9628186

L-cysteic acid is the L-enantiomer of cysteic acid. It has a role as an Escherichia coli metabolite and a human metabolite. It is a cysteic acid, an amino sulfonic acid, a L-alanine derivative, a L-cysteine derivative and a non-proteinogenic L-alpha-amino acid. It is a conjugate acid of a L-cysteate(1-).

-1.266897 1.443839 -1.6215407 -0.91294104 -0.047073685 -5.501678 -0.10434067 1.9954607 -0.74295634 1.1513449 2.8962426 -4.443633 -1.4642078 0.13406189 0.41722637 -2.414715 -1.3655186 -0.96092916 -6.0355206 3.290623 -4.348139 -3.2179205 -1.1516553 -2.3938498 -0.6554269 0.43007803 0.10757649 0.6000036 -3.276968 -2.2774374 -1.0580739 -0.6151877 0.6015052 3.9413936 1.2873904 2.8444545 -1.7575775 3.0702465 -0.26941025 1.7937539 -1.4876391 0.22649607 0.6149944 1.4177392 -3.9586217 1.2275246 1.1813627 0.003881164 -2.211985 3.376218 1.1788416 2.2252522 1.255312 1.7487037 0.25250918 2.169048 -1.317414 1.1832297 -0.7051289 -2.3898199 0.59564114 -1.8732685 2.252955 2.048383 -4.033715 1.7963343 1.6746932 1.5141604 -0.011974966 1.17135 2.0727775 0.81677985 -1.4832953 -0.46997565 -1.7630417 -2.167942 -2.1339476 2.4944425 1.6252652 4.265295 -1.0221696 -2.1640375 -0.8206152 2.320098 1.2010181 -1.9856259 -2.1586182 2.5161023 2.5832572 0.51222265 -0.34162217 -0.5990546 -1.9907376 2.279615 -0.2141514 1.2385709 2.5707204 -1.7962825 -1.9800941 1.4507678 -0.77245384 1.1721005 -2.7778902 -0.029818654 -0.14264366 -1.0620716 -1.9710497 0.1764569 0.083793364 0.08197731 -4.3116074 -0.73483694 -0.6061988 -0.9978498 0.5235013 -0.17410615 1.4714518 2.0012372 -0.24713124 4.56765 1.6147338 0.5265576 -4.0850024 -2.7856457 1.3433354 -0.81990314 4.0696325 1.5265578 -0.9363989 0.16578954 3.3448582 0.06401217 -0.8698841 2.399935 2.3751926 -0.784793 1.5520288 -0.74592566 4.2157893 0.23068663 -2.1065044 0.10317119 0.74112296 1.0084946 6.168135 -2.5098712 -3.3212533 3.4001436 -0.93641335 0.2900507 2.740807 -2.3297 -0.24066377 -0.60917306 -0.12746838 1.8566219 3.5504572 0.89491415 2.2034283 -0.11650396 -1.8213423 0.12700433 -2.3363829 0.028583094 0.56145734 -2.6056452 4.803874 0.8921103 -1.8184302 -0.6238856 1.20767 1.8577164 2.280864 -0.257527 -0.5680531 0.7721778 6.407667 3.6939633 -2.5236197 -3.469082 0.8052754 1.2368944 -3.4639318 0.4365579 2.47192 2.9711802 -0.13890311 -0.52705395 2.4705346 1.0264332 3.422173 3.744758 2.9601343 -0.46496117 -0.88569707 0.19056886 2.4920657 1.4580516 -0.104293495 -1.7218158 -3.4000666 -3.1802888 2.5892458 2.2963963 0.7986294 0.8353918 0.75246537 0.6250144 2.1054628 2.759389 -0.33682328 0.73618615 -0.80179435 0.5116651 1.9957304 0.59998435 -1.4170102 -1.0497444 0.66124964 -0.92723125 -2.5020852 1.0537093 -2.8516693 2.3076773 -3.2781453 -1.8635052 -2.2565064 2.1821725 -1.4139891 2.4002051 -0.04777175 3.9755673 -1.6735911 0.19890611 0.20785767 0.5024189 2.369502 0.059456877 -2.398918 -1.6090045 0.1776833 -0.5601009 -0.49571392 0.39276832 -0.40860677 -0.73226905 1.2749146 -1.7499921 -2.0458095 -0.044425644 2.0108612 2.241846 -0.27781665 1.4846853 -2.098926 -0.13788097 2.1579573 -2.876768 0.36272472 0.28826785 0.6415217 -2.6891286 0.97939885 0.587733 0.96451324 -1.7690023 2.8396633 1.1616704 1.8740475 0.11108519 -0.82555914 -0.38790053 0.50617576 3.0079722 4.0140076 0.73448545 -0.42537814 -1.5464836 1.3000491 -1.9157798 -3.0575147 -1.3877395 0.082827285 1.73558 5.5264707 -3.17092 2.1143878 0.8114547 4.001644 0.9041433 5.558627 -3.3724647 3.483417 -2.113922 -1.2339327 -2.7464163 -0.5648809 0.41773123 3.9613335 1.6810921

7-methoxydeoxymorellin is an organic heterohexacyclic compound that is deoxymorellin substituted by a methoxy group at position 7. Isolated from Garcinia hanburyi, it exhibits cytotoxic activity. It has a role as a metabolite and an antineoplastic agent. It is a cyclic ether, a cyclic ketone, an organic heterohexacyclic compound, a member of phenols and a polycyclic cage. It derives from a morellin.

0.7292614 1.93753 -5.776882 -4.937324 -10.220013 -5.5802956 -5.1663384 0.7510259 3.621401 7.987684 12.690772 -10.166099 1.718882 16.968117 10.381976 -6.2760515 16.295277 -1.612584 -21.142593 -1.7792125 1.4031827 -18.36184 -5.306388 -1.2822803 -4.218641 -3.3938684 -0.3389583 20.960823 -1.6002932 -9.908736 0.37448573 -4.0520053 2.4458518 7.157013 10.82569 4.7963963 -0.7952845 6.2270985 0.9477493 -7.480936 3.6542277 3.5755873 7.4096236 -18.19271 -1.1789684 -4.421328 3.6920588 -3.8972454 1.7590202 7.6910844 11.114966 -8.072739 11.214188 11.406378 1.5085293 10.739093 -9.741238 -1.893008 -3.8538566 -6.8542604 10.455177 -7.0743814 -5.737876 14.520584 -6.838307 -3.4719217 9.523175 6.0853076 2.6957395 3.895771 -1.5032989 -2.064472 -12.51345 -0.46669137 2.0263772 -4.0752015 -6.4864607 13.791887 10.386401 8.110284 -2.6863995 -2.5126317 -2.6754403 8.957711 3.1353354 -4.7850327 0.3547432 -10.237144 11.966981 -2.9775174 1.3015361 -1.9793776 2.4991608 -2.0792463 0.6130752 7.7500415 6.032556 5.660348 -5.2716947 -6.0823774 1.7232801 -15.004517 -11.894946 -2.6433744 7.069267 8.029118 0.2183473 -9.852405 1.1059192 4.5932565 -7.811078 2.358932 -6.94611 -4.264561 7.7665534 -4.0819945 -0.5205596 -3.3122995 7.964779 15.149695 6.7716 1.3334479 1.9048841 1.1460426 11.808563 -18.345444 12.861073 4.853592 -5.6178427 11.970102 4.154771 0.028038234 -15.479101 6.242695 18.309935 6.399956 -0.2960324 3.8563433 15.232392 17.238214 -8.612091 -3.563149 -6.270521 7.240447 9.19309 -17.868166 -8.099469 1.0588758 -12.348809 -2.9210567 -2.5496995 -4.007777 -23.423222 8.052703 3.377606 -1.8095874 7.080069 8.217233 7.70391 -10.780694 -8.090741 4.962965 -1.0686963 -8.820687 1.324621 -0.38288367 13.38826 12.26254 -14.149446 -7.415117 3.1206164 14.584782 3.5238202 -0.057993636 -6.130237 -5.589714 6.09336 8.28446 -4.0658956 2.0798242 -0.7436669 0.8641695 -14.334262 -6.3395066 6.6936255 -0.5254105 -18.117088 10.437841 2.9925814 2.368864 5.4309626 6.6798563 2.4145288 -2.764442 3.8407743 -2.4474573 14.395723 -3.9043198 2.3809717 4.2559114 1.8376412 -4.8603125 3.7146385 11.136487 -1.7135477 0.86310446 6.9216113 -8.172612 6.46183 1.9596927 -6.0059795 9.101715 -1.7812766 -12.174721 7.409985 -0.5607855 1.5155207 3.6808126 2.7578444 1.788035 6.0576777 -7.0937595 -6.9578247 2.1490128 -8.548077 -2.59851 4.143617 -0.48203856 6.600859 1.2549927 7.2886624 10.654558 3.8923364 -8.264625 1.6076734 0.5185641 -0.3818306 -4.20487 -6.607481 -15.82352 -1.8722633 -0.26065066 -9.286206 0.118019044 -5.8658743 -2.841426 2.697603 2.1947289 -8.150954 -3.0443668 2.0392277 5.658952 1.1875024 0.58073294 -0.16492063 2.0626714 6.295226 -5.5031366 2.660564 -6.5735965 -6.3467774 -9.599112 -9.023567 4.120438 -7.1574736 1.3126214 3.6219475 3.837177 4.3309016 -0.5106029 4.6042805 -7.464563 -0.5726109 18.176073 9.355548 -1.0773582 3.8683722 14.05888 1.3886703 -4.7066965 -22.221138 0.28287104 -10.221537 9.087867 7.7706003 -7.042464 -7.231586 4.2075624 15.944834 6.8932076 9.12644 1.7276239 17.610167 2.1841254 -3.5937393 -13.977893 7.0687313 -0.59061646 4.0431805 9.757565

Terphenyllin is a para-terphenyl that is 1,1':4',1''-terphenyl substituted by methoxy groups at positions 3' and 6' and hydroxy groups at positions 2', 4 and 4''. It has been isolated from Aspergillus taichungensis. It has a role as a mycotoxin and an Aspergillus metabolite. It is a para-terphenyl, a member of phenols and a dimethoxybenzene.

-4.176949 3.7980592 -2.1064248 -3.0819068 2.2539454 -9.613178 -6.972838 1.0718428 -3.7157712 1.22962 8.744151 -9.377692 1.9470676 13.884514 8.0250635 -0.33265543 4.2115464 1.3418776 -12.383449 6.902136 -2.9216497 -4.5296144 2.552855 -7.846718 2.0571582 -1.4169161 -2.1453009 9.855478 -3.0236602 -2.226428 0.41387513 -0.9657525 4.723616 4.2026815 -0.30959365 5.3852954 0.604218 1.4415239 1.1645757 -2.4187136 -1.0299797 4.0257745 0.38738406 -7.720563 2.2040606 -5.729815 10.265443 -6.208868 2.2122767 6.4437613 7.4503565 -0.52251506 3.60957 4.25008 -3.0493755 2.1188269 -6.7592354 -5.908645 -5.471479 -1.697632 -4.961851 -1.8138807 -3.2555676 2.380754 0.0712229 -1.3769621 -0.21623865 0.3300192 -2.9823985 6.528833 3.208737 0.34422562 0.41929293 2.443928 -2.6047368 -4.00992 -8.288144 11.852376 9.1589575 9.129082 1.4683236 -5.4462447 -0.19926077 -1.4224687 -0.12236516 -1.7506809 -0.89508617 -5.3826914 12.030438 -3.4690294 -2.5566676 -9.179317 0.024096206 -0.09862612 3.7636192 2.1973536 1.2331625 0.49419808 -6.3224854 0.15445057 -1.3199394 -8.373839 -8.097858 -4.018591 6.1062527 3.1533818 -1.3364804 -7.5033393 2.8094912 0.26690695 -5.171912 -4.5403757 -4.827222 -2.201028 9.057806 -4.8314233 4.1290793 -1.0767128 1.519303 6.2788234 3.523455 0.2816274 -5.1444707 -1.2249333 10.728827 -7.735632 4.91484 6.86583 -4.405077 1.3475692 4.111965 2.1234922 -9.578086 0.038876563 9.485443 6.2412496 -2.9880388 -4.310863 3.0821276 6.7999954 -3.829246 -1.1187712 -2.8722167 4.417515 12.104597 -8.634886 -2.1123674 -0.2460838 -7.5777526 2.9789941 11.897899 -5.6344852 -16.681028 4.2363935 -4.3648677 3.68137 5.674238 0.3114316 0.24066217 -10.087866 -3.3802142 -0.31595457 -2.4165735 -2.874379 10.652079 -3.8820639 12.933643 6.413252 -3.0413027 -5.4142346 0.9650566 1.1656617 7.341814 -2.14546 3.8322382 -3.5207329 5.0675 0.44249538 -6.4786 2.1591232 7.6766047 -1.1812954 -8.720448 -4.144493 5.2145057 -2.22598 -8.698799 3.457958 -1.4959756 2.2953985 5.625693 -3.0785484 1.0498097 -1.4015157 -8.161823 -1.7772405 4.629714 -3.220128 -0.8670879 -1.827745 3.5857768 -10.690831 3.0419362 2.5003083 1.3393763 0.053611055 -1.830878 -1.3166292 7.773343 3.1635966 -2.5127296 8.770545 0.71522254 0.0012566596 5.245164 1.7567505 -1.8563135 5.692506 0.041179687 -4.8258486 3.800587 -11.142521 -7.1570168 -2.3616838 -8.384475 -0.5375353 9.2277775 -3.194171 1.4099368 -5.0556803 4.2412934 12.012249 1.9805987 -3.6208506 -4.1359706 0.44927615 -4.168521 0.42083764 0.7200795 -2.9494307 -0.53439033 -5.637303 -4.2401443 -0.38355708 0.91799986 -3.630166 4.3730345 -1.4619339 -3.312915 2.6931274 -0.8849415 7.0195303 5.4703646 -0.15507406 -3.9270713 -1.6602166 2.8361452 -5.9546843 0.54322964 -7.1920676 -2.1254632 -5.618496 -7.8155866 5.5151963 -8.177643 -1.1260041 -2.1357143 1.6232717 0.045114957 6.115517 3.6374855 -2.8193064 0.2583623 11.517743 12.337618 -3.985494 5.9148746 6.572776 3.2769532 -0.7945163 -10.5506315 -9.76449 -7.737147 9.542791 6.155262 -5.3410172 6.659793 -0.525461 7.446882 0.41917956 0.75069594 2.063128 8.915391 -3.2721326 2.5984507 -5.017389 2.0956678 -1.874611 2.24119 6.6296697

Taxiresinol is a lignan that consists of tetrahydrofuran substituted by a 3,4-dihydroxyphenyl group at position 2, a hydroxymethyl group at position 3 and a 4-hydroxy-3-methoxybenzyl group at position 4. It has been isolated from Taxus yunnanensis. It has a role as a plant metabolite. It is a lignan, a polyphenol, a tetrol, a member of oxolanes and a member of guaiacols.

-3.0152135 3.5955238 -0.77172863 -2.7796543 1.6106306 -9.15147 -6.0784745 0.780439 -1.1826446 3.854173 7.373891 -8.79502 0.28852993 11.586527 6.986117 2.6050284 5.1209865 0.52577484 -12.605817 6.446061 -4.5622735 -5.8666873 -1.9357315 -8.009686 -0.1375699 1.3518932 -0.9769964 11.155165 -1.8885356 -1.3003167 3.1545706 -3.2741904 4.360405 4.605506 2.872795 2.2797694 -0.2633056 3.4530246 -1.6256137 -2.4373126 -4.7948723 2.070588 1.122015 -4.821337 1.1013654 -6.329396 8.059669 -2.8724952 1.6118467 10.122854 5.733965 -2.4751143 4.631762 2.794282 0.16664779 1.1032934 -6.495414 -1.0199564 -3.8009896 -1.7960086 -3.7271895 -3.7774553 -2.8305562 4.924871 1.1075646 -5.108162 1.8694726 1.103124 0.3504561 1.0682402 1.1012684 1.0063379 -0.8145896 2.0839067 -0.3840235 -5.104052 -8.371563 11.034173 7.012062 4.6816306 1.0110505 -4.726663 -0.12244782 -1.1487901 0.7667636 -2.0802631 1.121727 -3.593675 11.833168 -4.7415924 -0.30134645 -5.331127 0.7652879 -0.79670715 0.20080885 1.9825392 1.1410099 1.1525989 -4.692304 -1.8139391 2.1525404 -6.6832104 -9.412245 -2.786948 8.1605835 3.3926742 -0.8051278 -5.4684196 3.1510127 1.8699069 -5.0106387 -2.41192 -3.32346 -1.6872014 11.400852 -6.003265 1.4451423 -0.53684825 3.2284982 5.749959 5.0831356 1.9945021 -7.305653 -1.737713 9.766617 -11.486307 6.6602354 7.7028756 -5.332766 3.4452565 2.1926565 1.1659633 -9.305917 1.6162771 10.599757 6.6614738 0.6490437 -2.9513278 6.8641686 7.370079 -4.41413 -0.93850744 0.22648641 4.907678 11.154021 -8.271439 -1.729787 3.6026728 -9.123441 3.1406033 8.372803 -2.5510845 -14.057122 2.3128362 -3.232153 4.2458477 9.211174 2.4593678 3.6817815 -7.742504 -7.019837 -0.38596487 -2.895967 -4.235303 7.6200743 -2.7608051 13.821978 5.700478 -4.102081 -4.3183475 0.78107625 3.4102547 7.0139823 -2.8700678 1.3658715 -2.7653499 4.96548 3.6509569 -6.5581684 2.5138495 2.9536686 -1.2126867 -10.164549 -3.574856 5.503313 -2.8927057 -2.2402356 0.0791366 0.052658472 2.0364826 5.296929 -1.0782046 1.4611475 0.84876394 -6.6458583 2.22869 3.831844 -1.4730048 0.46928906 -0.8266918 2.290971 -7.1066027 4.1709533 5.65204 1.950086 -1.2645419 -1.733823 -1.860148 3.415369 3.6067994 -1.4311334 3.4296896 -0.20664477 -4.082144 2.1324127 2.2097983 -1.103965 3.2645736 0.2122377 -5.5976834 4.6409955 -9.105226 -6.1477737 1.3652279 -7.369877 -3.5957634 4.2009015 -1.153667 -0.75904185 -4.349185 4.4930096 7.498323 1.6985477 -0.97839206 -3.6839213 0.40609628 -1.4239656 2.2867892 -2.815951 -2.459203 0.1566008 -5.5690246 -3.9934416 0.2041487 3.6018965 -1.5069453 1.5934157 -0.49828568 -2.204206 1.9353232 2.7036538 7.3887825 1.3859088 1.9239689 -2.8692353 -0.0063966215 2.7803683 -9.69065 -2.1400657 -3.5302675 -2.5349922 -6.207611 -4.377782 2.279558 -7.3878226 -1.4350315 -0.7228593 1.0133798 1.8950746 4.7551026 1.9735551 -3.5236683 -0.68515706 7.9519963 11.379315 -1.0471635 4.567784 3.7604682 2.2358165 1.1360855 -9.53078 -7.232009 -6.483998 6.029853 7.7114687 -7.560475 1.8797508 -1.8095255 9.305002 1.2780491 0.44129547 -0.87538123 10.447084 -2.0913029 3.122382 -7.2550683 2.5303514 -4.4036245 2.8822184 5.7104225

Propyl octadecanoate is an octadecanoate ester obtained by formal condensation between the carboxy group of octadecanoic (stearic) acid and the hydroxy group of propanol. It has a role as a metabolite.

3.172956 3.68331 1.781736 -6.4450636 2.2815769 -3.116781 -3.1287231 5.5221615 -5.61598 3.3513787 5.2847285 -7.86853 1.5341333 -3.6809926 -2.358533 -4.3744507 -1.0192083 5.364523 -8.096232 -1.5373244 -4.7653165 -2.9257395 1.3550987 -12.047555 -1.9542177 6.364687 0.013333101 7.6270823 -6.0629544 -5.210369 1.1552585 -4.9577694 -1.1970193 5.394479 5.9326725 4.846205 -4.9226108 13.70534 -1.9680814 7.1249647 -2.587397 -7.964218 -0.18822095 -2.754457 -9.202538 -0.75813574 -2.5710914 3.2639027 0.032149807 6.4128532 6.7540545 3.236386 5.058195 5.363059 3.781814 -6.8436575 2.1120253 -2.5482717 0.48317885 -2.4934094 -2.4044764 -10.380481 0.8238449 12.153716 6.5275507 0.96851265 -1.1760358 -2.2515163 3.6107028 -0.9665039 -0.7377488 -2.6503327 -4.74216 5.8228474 -1.9741856 0.4162215 -1.0195274 6.0073137 0.8019644 0.79354906 -6.4130144 -1.6192107 0.28797787 6.627985 2.0386724 -0.10145979 3.152956 3.1347783 12.027432 -5.979637 2.925015 7.031678 5.030193 -0.87590766 1.0005251 -1.2521335 2.3492374 -0.80967385 6.5061417 7.1664224 4.892807 4.3414874 -4.2464423 -0.1963728 -9.446429 5.6338835 2.5927417 0.5341441 2.666148 9.5683775 -4.3448343 5.6948347 -7.7733216 -1.477842 0.9782629 -0.20873964 -0.7478414 3.9497466 5.6527987 8.528209 10.802265 3.3759727 -6.4755096 -1.1620306 3.211688 -13.9643755 6.8252063 9.221223 2.6103797 6.5009933 11.472438 -7.158236 -4.0332437 5.0608287 6.5385804 -1.0755303 4.623304 3.786569 12.499193 0.2645294 -6.945785 1.6937646 -0.9801408 4.0677485 10.229122 -14.357003 -5.0727286 10.196357 -7.450413 2.291804 2.9649644 0.5139772 -5.902471 2.6740549 -5.7707725 3.6911845 6.0872736 10.118481 14.256247 -0.90204537 -10.2371435 1.7157522 -6.266538 -7.1605988 7.636836 1.018645 5.8827095 9.51737 -5.371759 7.427942 5.301366 9.342576 -1.7639978 1.6129832 -2.6084738 -0.71765184 13.014793 5.410923 -12.144242 -12.7715645 1.310578 1.5459075 -4.5761504 1.4058133 7.061825 4.3212557 -2.158578 1.2314048 4.4750013 8.499264 1.658284 12.353686 -2.7263157 0.2068573 -0.4508607 0.2612785 1.1161419 7.188125 4.9755955 2.1972792 -7.12202 -1.4066871 2.9073932 4.1626587 1.0095308 -7.2004185 0.685666 0.9282448 -0.6489887 1.8299799 -5.2823396 -1.5909371 5.8203745 -9.45972 0.6855392 -0.39242506 -7.0750356 -2.3071668 7.980523 -2.7216604 -3.4198272 5.9107904 -5.921349 4.7558594 -17.59642 2.4257061 -4.5738444 0.14532328 -6.35109 6.1542044 0.38269135 1.8427432 -5.3358493 -5.365617 0.58725774 1.8412126 11.443865 0.37629536 -4.2408557 1.297123 -0.5254016 -2.5116506 4.022273 -2.0333133 2.7964282 2.7730799 3.778977 -2.1043143 -3.8813324 6.644998 5.4155087 -1.3261843 -1.2954783 0.9936217 1.5227383 -2.9301863 5.4521465 -6.926288 -6.471436 -4.8023114 2.008421 -5.359972 -1.2604187 -5.286179 6.4928904 -0.079582945 -0.44222754 -6.825384 6.7854886 -2.615569 -4.942683 -4.631506 2.5818791 2.627714 0.4880771 9.942541 -4.504119 -4.56776 7.3551297 -3.7328253 -5.2329497 -1.4628552 -3.2720861 -2.5055096 8.210068 4.3190145 2.6372132 -2.0047953 5.9571643 5.480992 8.336286 3.2116835 6.2737417 -0.029557042 4.38521 -7.524156 5.389955 -0.6732137 3.7115161 5.537251

Mifepristone is a 3-oxo-Delta(4) steroid, an acetylenic compound and a tertiary amino compound. It has a role as an abortifacient, a contraceptive drug, a synthetic oral contraceptive and a hormone antagonist. It derives from a hydride of an estrane.

3.6791172 9.854411 -6.9719505 -1.255418 -4.047461 -4.8659306 -9.899422 -1.2872472 -3.7442453 9.750106 8.999512 -8.013911 1.4717125 14.861558 5.4416957 -0.4901655 10.93575 -0.3630651 -13.110563 7.483833 -4.728951 -6.6588287 -8.36856 -3.4973862 -5.2386737 1.9607726 -2.4830914 14.926325 0.39227468 -10.693493 1.2332934 1.0360742 -1.4781399 8.909895 10.305672 0.9765042 -0.83427024 7.1077876 -2.817083 -1.7324361 -6.465867 3.1634076 12.471654 -5.1927667 -0.8270241 -4.3856764 6.0517373 -6.6835837 -4.0911856 2.8823998 8.96595 -5.26272 5.21415 1.0584023 -0.578397 6.221776 -1.8835973 1.1334668 -4.0924034 -0.655586 1.4129741 -3.29266 -5.5083046 10.866946 -2.876409 0.48003858 2.3479207 2.3176656 -0.97424406 -1.4400172 -2.8639739 2.6049674 -4.094665 0.029012218 3.4223034 -3.513511 -2.4541147 11.351677 10.064475 7.688319 0.012025669 -3.47513 0.08040604 9.899118 1.1985065 -6.5266104 5.2736416 -5.2696066 15.41606 -6.6733365 2.9714391 -6.266871 -4.7974663 -0.08657494 -3.2091432 7.0359263 -1.3767568 -0.60068613 -4.9106884 -1.6117947 -0.19171083 -12.765891 -9.3747225 -0.054864906 7.789454 5.1197467 -4.000276 -9.2066345 -5.2442446 8.086862 -10.343533 1.1398683 -0.15997666 -5.9650226 10.374989 -4.31352 0.27717143 0.76365614 2.8571904 9.014678 2.6048603 0.81653774 -4.2098002 -1.3122146 11.333017 -12.736147 10.238789 7.556694 -2.0363297 9.271737 6.5467587 -0.001370321 -13.662868 1.9135928 10.510711 4.8353763 4.288197 -0.074115455 6.0962806 7.1125035 -5.547006 0.8617395 1.3841187 4.1995764 2.4677398 -4.287676 -6.6206536 4.2040267 -6.065444 -0.08735566 0.49651265 -6.837964 -11.254835 4.095681 1.8077093 -4.3816237 3.6332605 2.2203333 1.949119 -6.0339947 -2.009353 1.9247761 -9.26648 -1.6018664 -5.972853 -3.8757482 11.384932 5.160305 -5.040806 -3.8404853 -2.2008286 1.7534682 5.4554334 0.42355025 0.8385136 -5.6704793 0.98364836 4.7661805 -5.8920927 5.273393 1.6090739 3.7779667 -9.5632515 -2.6851778 4.8022118 -1.0290964 -8.580824 5.254348 -1.3571217 1.1195011 10.389544 2.3965337 4.462576 -5.071546 0.5408961 -0.9451572 8.820629 -1.2991406 2.3181832 3.3070312 7.1132364 -5.3729224 4.140385 3.9183118 7.0264006 5.2047477 3.0360339 -3.2907977 4.063672 5.6896996 -0.7686032 6.2173395 0.922717 -3.9631991 8.420705 3.088242 0.10993844 1.4604007 -1.7253417 1.4512341 6.051826 -11.802446 -4.894727 -2.0040553 -3.4631386 -4.9001594 4.3380623 -3.1162345 1.1290907 0.92098135 2.2468686 5.122584 6.2130265 -3.097814 0.43019807 4.3298154 -2.8631346 0.57088244 -0.15492977 -8.574439 -4.1239896 -5.932049 -6.5227003 3.1917467 -9.727667 -3.9111216 3.5918481 4.0607605 -4.7129655 -2.3843834 3.3794994 3.4181535 2.9162428 4.1783314 -2.2524755 4.6495585 6.6897445 -3.4469874 2.226568 -3.9187763 -6.4284163 1.4234383 -7.1981797 1.6142626 -10.036446 -4.6101584 1.4105166 -1.1141026 3.5971925 3.7711666 0.03214401 -2.4673893 -3.6335218 14.068375 10.972489 -7.7593613 -0.18639572 6.499956 -1.475842 -8.804088 -15.979938 -9.005073 -3.8712618 7.0087333 1.005423 -6.978513 -5.7115836 -1.973275 9.114068 4.174557 0.26954794 -0.31591344 13.466746 0.8029921 -1.0712987 -11.235473 5.642924 -0.115653545 0.8952713 6.4492145

Hydrogenselenophosphate is dianionic form of selenophosphoric acid. It is a phosphorus oxoanion and a divalent inorganic anion. It is a conjugate base of a selenophosphoric acid.

1.6730251 2.1124299 0.555734 0.054717466 -1.0460894 -1.4542592 0.83721244 1.4678004 0.49408504 1.4554644 2.4801784 -0.9011173 -0.47193035 0.24681136 0.46282503 -1.4644636 -0.62109816 -0.24299338 -1.7448323 1.8521184 -2.6157022 -1.1397566 -2.4385343 -0.48908573 -2.097966 0.75291026 -0.7309346 0.6127854 -0.60109174 -1.4384277 -1.5475221 -0.5275594 0.96956587 0.74951 2.0997875 0.2827695 0.68506086 0.57693434 0.39457482 0.44138193 -1.9469985 -0.40374666 -0.16172737 -0.8171133 -1.0893011 1.5706884 1.7697998 -1.2417578 -1.4906875 -1.4726735 2.840716 -1.3037481 1.3885045 0.9564565 2.2964091 -0.11017857 -0.11212912 -0.8945023 -1.7110562 -0.57615554 1.0015881 -0.9033698 0.5290892 1.2488198 0.550412 0.92869747 0.6430926 0.0013406577 0.37188601 -0.84030294 0.16999817 1.3531349 -2.281856 -0.5125667 -0.5796975 0.034004685 -1.6191297 0.16225302 -0.14914787 0.22520298 -0.18084332 -1.5879754 -0.9221761 -0.2651944 -0.4847808 -0.39283696 1.8507184 0.71382606 1.0680252 0.31428868 -0.18841234 -0.5337116 0.21327387 -0.99182683 -1.0877302 0.8290361 2.6652794 -0.60640925 0.70997167 0.35315153 2.0766444 0.77141136 -1.0656761 -0.840037 -1.0258765 -1.1831951 0.47936907 0.021127172 1.3515346 1.4426563 -1.7770333 -0.48892403 0.14178643 0.33881956 1.910702 1.080204 -0.19454427 -1.9144837 1.1657088 0.5273437 1.752899 -0.7342986 -3.547519 0.8444506 -0.07182157 -1.1340749 1.2430683 2.084013 0.53728706 0.8683481 1.0193385 -0.0607401 -1.5870464 0.8132986 1.6208005 0.18736711 2.600284 -0.7685982 2.1243188 -0.061699174 0.64092577 1.0245087 0.17830001 1.3289589 2.4731498 -1.8281236 -0.18510883 2.703742 -0.38895833 0.682794 1.639694 0.34821555 -2.2895472 -0.7860626 -0.0753324 1.1775972 1.3242382 1.7473593 0.40562823 -0.11451458 0.091115065 1.1421554 -1.6738228 0.0939631 0.57636493 -2.5364177 2.0703409 0.5374203 -1.5654972 0.61255014 0.62359667 1.009356 0.40496457 -0.402465 -0.027217329 -1.0482732 2.194883 0.6878994 2.41294 -0.3894142 -0.5681095 0.029007323 -0.95291185 -1.3010844 -0.33279642 -0.3036044 -0.36315888 0.06964205 0.7302588 0.082610354 1.045397 3.1084108 0.2744978 -0.1750966 -1.7689298 0.3752743 1.4824524 -0.4589609 -0.99396753 -0.45448405 -1.6082594 -1.0451374 2.2640946 1.6798987 0.8708549 0.445765 -0.11704568 0.40220556 1.5692583 1.8544005 -0.21306086 0.41747847 -0.05311925 0.07911691 0.40275288 -0.62621015 -0.20996378 1.6658913 2.3925986 1.4515738 -0.17447294 -1.5517206 -0.3091007 1.0636808 -1.3346224 -1.6437387 -0.017688267 -0.923206 -0.49503812 -0.053389326 -0.2595334 2.0452383 0.05089587 0.8386706 0.36946905 -0.78627807 1.0166495 -0.76033515 0.5675843 -0.31911564 1.4341381 -0.9554021 -0.8053269 -0.7058797 1.4262892 0.10832 -0.054974947 0.32373366 0.05391273 -0.41785842 0.600865 -0.013960941 1.2967339 0.7808905 0.38507068 0.8681816 -0.030896481 -1.6145539 -0.053322196 -0.1332647 0.098093055 0.3276583 0.26122406 -0.31368855 0.7343759 -0.68134516 0.25583106 -0.68197984 1.3629568 -0.60375655 -0.64696085 1.5074389 1.7909467 -0.7174189 2.0112925 0.29926914 1.0217179 -1.4773204 -0.4103076 0.0954705 1.5263743 -1.8025565 -1.9998848 0.31717378 1.7552344 -1.8397989 -0.054166112 -0.48340333 -0.33193797 0.23698597 1.8002583 -0.024850368 0.1433607 -1.3015577 0.45444986 -0.5669915 -1.086722 1.5157299 1.441953 0.6480166

Cis-heme d hydroxychlorin gamma-spirolactone is a metallochlorin that is heme d in which the hydroxy group and the carboxy group of the 6-carboxyethyl substituent have undergone intramolecular condensation to afford the corresponding gamma-spirolactone. It is a ferroheme, a gamma-lactone, an azaspiro compound, an oxaspiro compound, a tertiary alcohol, a monocarboxylic acid and a metallochlorin. It derives from a heme d cis-diol. It is a conjugate acid of a cis-heme d hydroxychlorin gamma-spirolactone(1-).

6.6540275 14.868044 -9.95717 -9.502668 -8.471955 -1.2913064 -16.04355 4.363148 -3.2884781 8.492337 13.287624 -17.511356 5.786584 34.172764 7.8884945 -9.634555 19.099977 -1.0038816 -18.912678 5.7501326 -5.5278525 -8.796383 -2.4976501 -10.610619 -10.720713 3.0389729 -2.9361744 17.3488 -6.982856 -5.3849382 -4.1218176 4.705687 5.4899354 13.239909 7.563538 6.650915 1.4236833 10.222437 -0.3675808 -1.8886192 0.11056006 -3.6776645 2.0579472 -16.06484 -1.575653 -6.8721623 7.7798257 -10.952307 0.1320321 6.3548408 9.602784 -4.113407 9.151149 14.623128 4.555486 13.098998 -3.6520855 -3.0318089 -4.2924304 1.4799216 6.527404 -7.7414484 -10.354088 13.200664 -3.0637636 -4.4339776 1.5235502 9.716543 1.5456487 -0.282233 7.776927 1.4376836 -14.162679 -4.8824677 -1.7505856 -1.6631286 -7.795182 16.687473 19.603636 13.998605 3.496579 -8.568947 5.223676 8.119065 2.3383713 -0.5480036 -2.6637716 -0.79039586 12.424766 -12.045731 -10.890563 -3.0296905 3.586957 -4.1673274 -1.6024905 6.702211 3.3187172 3.0835218 -6.102984 5.8036375 3.857805 -24.96421 -15.222178 -6.397572 0.040526137 5.6312346 4.938479 -8.509038 4.2407694 2.6591156 -7.0378003 3.0952432 -12.21869 -8.264979 5.460388 -6.6746826 1.0779655 -6.771425 6.6948075 15.811552 13.040228 -5.030908 -8.811199 -6.000694 11.656251 -14.931813 14.886281 0.7284056 -7.104335 8.893626 5.9203625 -10.669608 -15.926858 -5.3637724 22.61912 8.465179 2.8389616 1.5896354 16.420603 12.809182 -11.882403 -5.2943916 -6.650749 10.604215 6.997851 -14.721133 -7.1001153 3.0848505 -16.513313 4.0686593 2.0869458 -6.1585455 -32.215336 5.0812407 -4.0322337 -2.5060248 6.136615 12.497135 7.2535825 -15.140583 -1.0149429 7.4223332 -4.7689557 -9.491169 5.5914354 -0.2009959 8.055958 8.304681 4.693535 -1.0341996 -3.800225 1.2619858 6.0590625 -4.9401093 3.3704844 -5.7808824 9.767258 3.0226343 1.6385314 10.213433 7.4100285 -2.0163958 -10.156902 -8.996694 14.410211 -7.3686576 -21.950628 10.30545 6.543401 3.307225 21.71041 6.895957 -0.94999725 -7.0362644 -3.0796835 0.064406365 6.3690166 -10.561976 4.297683 -3.4345014 -1.1207684 -7.275835 6.30595 6.076976 -9.2311535 -0.9323417 -2.091106 -9.69367 12.267528 3.9378645 -1.7512517 20.511879 8.635949 0.117580935 14.559323 -0.100999855 3.4507918 3.036608 1.2382247 2.0504365 5.1644034 -15.264519 -12.500466 1.2775034 -16.453876 -3.0701108 13.66805 -13.435595 6.5694723 -9.787831 3.3918345 11.138638 10.024239 -20.35201 4.915126 3.1024487 8.785053 0.49135792 6.289416 -5.2657404 4.860715 -7.006565 -8.2881 -2.313038 -5.000714 -5.0655103 5.8111124 4.0595174 -1.8530166 -0.5048049 6.141642 9.748622 3.6184428 3.628791 -3.1645374 3.9044006 15.594719 -6.293206 0.96699476 -17.115492 -1.6374092 -7.8942857 -12.583183 7.4752455 -14.795023 7.986589 2.7085235 -1.4993833 -1.7052021 4.116766 -4.515432 4.8700705 10.833295 15.783953 7.9501944 -8.445816 6.814227 14.205176 0.4721039 -10.791332 -20.545906 -6.701646 -9.465116 6.6375175 5.294949 -5.6724167 -2.1937032 -3.9610007 12.26566 -5.668088 2.6095314 1.7918371 16.232841 -2.7391129 1.4013736 -9.58297 6.6478615 6.122287 0.48696843 7.286781

AZD4547 is a member of the class of benzamides that is a carboxamide resulting from the formal condensation of the carboxy group of 4-(cis-3,5-dimethylpiperazin-1-yl)benzoic acid with the amino substituent of 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine. It is an inhibitor of the fibroblast growth factor receptor (FGFR). It has a role as a fibroblast growth factor receptor antagonist. It is a member of pyrazoles, a N-arylpiperazine and a member of benzamides.

-3.4981477 4.436653 -2.2838993 -5.079444 1.3994695 -7.319199 -9.804495 2.8651643 -2.9578307 1.5879155 6.7956257 -9.376048 1.4004585 15.437759 5.9717836 -0.32633293 6.6787944 2.694778 -13.155492 8.503782 -7.546912 -3.9241393 -1.124909 -10.981515 -2.2637897 0.08190113 -1.4895189 10.733413 -5.73795 -4.8678865 1.6390245 -0.526011 5.075963 8.2801695 1.9572666 5.7069387 2.5918548 4.929577 -1.0078481 -1.99681 -2.7433455 3.4073873 0.24994722 -6.9236946 0.3118658 -6.8012486 9.77083 -6.7558618 2.2473738 6.7317195 8.206111 -2.0592506 5.650971 3.0557585 -0.4044413 -0.17186102 -4.2108884 -4.1987133 -7.236047 -1.1834365 -1.983944 -2.2816079 -1.8054036 7.233451 -0.53758144 -1.7166787 -0.90383774 1.8106304 0.18301687 2.5769973 1.1900545 3.464294 -5.402763 0.54988885 -4.121408 -2.7723763 -8.834888 9.847726 10.210524 12.377091 -1.7484647 -5.5473003 2.1787782 4.247746 0.9785726 -3.2231755 1.7270775 -3.422383 14.017859 -5.1476974 -5.9542165 -4.410093 -0.26429713 1.5694363 0.9022099 3.4915707 0.10226313 -0.5660273 -4.963784 0.8773625 0.31034985 -7.2102275 -8.511719 -3.5948687 7.090338 2.482206 1.6037819 -9.633421 -1.1322325 7.6442485 -3.7483528 -5.228234 -6.887808 -2.6334298 11.034151 -8.300854 6.6849284 2.9029357 3.6075282 7.4672837 4.274145 -1.9989493 -6.622491 -1.3901733 12.48904 -11.885397 13.184461 6.6954393 -1.7488997 5.0757713 7.4357686 -0.07919592 -14.2452545 6.3309584 14.273533 5.041932 -1.6694424 -3.2605977 7.2122164 10.933256 -5.4931808 -2.3751638 -0.80074847 4.405015 11.765804 -9.330423 -4.826103 6.0984344 -11.159372 4.970068 10.285478 -2.6531096 -15.402929 2.2929058 -3.2808504 -1.0209429 8.338796 1.6119081 5.3124547 -11.601025 -6.4567423 -0.53575355 -8.229764 -3.3610053 8.845993 -7.7944217 14.089058 8.832943 -5.819575 -4.5501676 -0.19467272 0.9877131 8.239041 -1.8922812 3.8557837 -6.0995703 4.252045 4.5494366 -6.9316416 0.49502134 8.70608 -0.74510586 -6.3434105 -2.7399209 8.417621 -4.3551307 -8.449982 5.888928 -0.92893237 2.1170669 12.324196 -1.9694971 -0.06447548 -3.426633 -5.718533 -2.1049564 1.5132918 -2.5176253 1.3443967 -1.0833507 3.2000303 -9.561022 3.0068963 3.8348572 -1.8767278 3.4454825 -0.6833267 -0.62955385 6.085154 5.4035892 -0.6001679 8.232764 3.904046 1.2763968 7.2575827 4.3479195 -2.041285 4.8499465 -3.4350195 -2.8302512 6.2545033 -13.589084 -9.824454 -4.914814 -10.68205 -0.9155177 7.0027943 -6.4028764 0.6967788 -4.6960096 -0.8764763 10.993412 1.8646138 -6.258732 -2.1728642 2.6624641 -0.3671632 2.3125365 2.1843307 0.053518306 2.9116392 -7.997821 -5.875816 -0.73571825 -1.3546116 -3.4344468 7.3735075 1.0587475 -4.864363 0.7951882 5.1972237 8.050201 7.9426556 1.4250214 -8.390934 1.3902049 6.4032774 -8.998211 1.5068704 -8.278779 -4.2484984 -3.8971627 -10.051052 4.078648 -11.539801 -0.22034445 -3.0616 1.4856014 3.485877 6.1444335 1.2546687 -5.0610604 1.1328834 10.38752 14.427189 -9.422449 2.6485329 4.5229316 -1.31463 -1.0307153 -13.169856 -9.950045 -8.971766 9.335335 7.5031466 -6.510027 3.852343 -1.7321951 8.261846 -2.826819 2.6353042 -1.4812238 12.216577 -5.7790413 1.6047999 -8.531304 1.096441 -1.2451831 0.9069803 7.9305286

Amaralin is an azulenofuran that is decahydrooxireno[1,2]azuleno[6,5-b]furan-5(1aH)-one substituted by a hydroxy group at position 8, methyl groups at positions 2 and 7a and a methylidene group at position 6. It has a role as a plant metabolite. It is a sesquiterpene lactone and an azulenofuran.

1.0708383 5.637588 -2.4995072 0.2652238 -2.5815992 -5.629567 -3.8645813 -0.7607218 4.207264 5.0937076 2.39437 -2.5012238 -3.2300608 9.896966 0.69632226 -0.073384225 8.476819 -2.5596948 -11.353794 4.1732545 -2.0418017 -8.926061 -8.637263 0.58099866 -6.838484 1.3480523 0.65155554 6.8511252 2.4290206 -3.3093548 2.7007432 -2.1662538 0.042011768 4.7256474 10.001702 -2.8482015 -0.8373803 4.135714 -2.6594937 -3.015469 -5.1018777 3.1243591 5.6207533 -1.1478709 -1.8549479 -6.119934 0.60881495 -1.1507205 -0.4221356 6.1500597 6.021823 -4.1125584 4.6509686 0.11967034 4.6599655 4.095679 -2.8648155 4.434996 -1.635888 1.5518484 4.151324 -2.1783693 -4.0942645 9.309692 -2.3601758 -0.6435663 3.717811 5.7593603 1.9439223 -4.0693207 -2.3213646 1.8822724 -3.645824 0.8678244 4.212592 -2.2068465 -5.3632603 6.91575 2.6421092 3.8685546 -5.201012 -0.7609979 1.2557672 3.8622599 0.34975648 -3.5290687 3.9187803 -3.5876787 6.5573854 -2.762158 0.50042003 1.184255 -2.2830424 1.8876667 -4.825555 0.050640743 2.247426 1.1580478 -1.3069457 -4.0611587 4.139181 -5.3509145 -7.495885 0.45112374 6.2733455 4.637903 -2.072599 -3.769553 -2.1617858 2.875288 -3.4382908 2.0340648 3.826567 -1.6930336 7.3006186 -6.1882353 -1.6872994 -0.84468454 7.39868 3.823666 1.3371196 2.5375793 -4.9534807 -3.9120073 6.412914 -9.692615 8.783855 0.9400505 -4.829129 4.953859 0.42694294 1.7396197 -8.387519 4.8802457 11.757507 2.0945022 3.5642803 1.3572367 5.469972 7.1852384 -1.811309 -1.396877 0.9503486 3.414461 4.154347 -0.8249568 -4.459645 5.6165824 -7.0433455 -1.0390477 0.5289235 0.6245532 -7.6567187 2.7161415 3.1096919 -1.9244455 7.256752 3.3272634 3.5277143 -4.905029 -6.731096 2.0231671 -3.534158 -1.7852564 -4.255575 -0.35034916 11.980946 4.7118707 -7.0779905 -3.32106 -0.09380126 3.5457342 3.4314291 0.26962999 -3.1500766 -2.3721898 2.5346305 5.734774 0.6884544 4.3669586 -4.7948704 2.877181 -6.528731 -1.1264206 1.3768119 -2.8470397 -2.7903073 -1.5562582 4.570431 -1.0300912 4.952301 2.8817291 0.85557675 -0.35677278 1.1541038 2.0605862 4.4218903 -0.9847729 3.066545 3.5199637 2.3387165 -1.4807682 2.4502087 7.1892257 3.8946445 -0.29473683 1.3001086 -2.6660132 2.8893402 2.8540072 2.1472955 -1.2074834 -2.9927514 -5.8806014 -1.4951723 3.7926714 1.8192046 -1.5973543 1.30711 -1.5760593 0.8954281 -5.8130913 -1.1307214 3.4756544 -4.0216465 -5.507885 -4.146695 -1.4727817 0.7771193 2.9090044 2.2342997 -0.052409716 5.039844 1.4448012 -0.44825578 1.568125 3.4965363 -0.29550114 -4.2622323 -5.742586 -3.042668 -4.303235 -5.6369658 0.116332084 0.87611973 -1.852719 1.3226775 -0.031320594 -2.348482 -5.8871427 4.9268265 3.3323083 -4.163571 3.3952243 3.3923185 5.316236 4.3718143 -5.8061624 -2.304297 1.933083 -6.217774 0.4883287 -2.002082 -1.7038225 -5.361483 -2.7220955 2.245529 -1.2373446 4.7250237 0.66747695 -1.0365688 -1.6012921 -0.5594803 3.5339906 6.378578 1.1321394 1.9644237 0.7381252 -0.8872322 -1.697826 -8.508835 -3.7226233 -0.89763695 3.5077035 0.43852383 -5.409372 -9.556913 -2.6514933 7.0595717 1.990683 -0.17609735 -2.8847291 10.615344 1.8106714 -0.5585141 -8.823207 3.9441016 -4.206558 -0.3308084 4.905831

1-(11Z-icosenoyl)glycerol is a 1-monoglyceride resulting from the formal condensation of the carboxy group of (11Z)-icosenoic acid (also known as gondoic acid) with one of the primary hydroxy groups of glycerol. It is an organic molecular entity and a 1-monoglyceride.

2.9039073 6.6138954 2.8598828 -8.160164 0.45974076 -5.836766 -3.9984927 5.6519012 -5.579916 4.828248 7.043172 -7.753571 1.4051069 -3.130268 -1.6003332 -3.9552493 0.31744653 6.247626 -11.311327 0.04903765 -4.962625 -3.5387864 0.23962869 -13.173068 -3.4440973 6.7632627 1.1231067 9.630238 -6.1864996 -6.3011966 1.4743953 -6.0597973 -2.634839 6.065283 9.129792 6.719037 -4.6836877 14.393147 -2.3519213 6.8089986 -1.9460973 -8.624199 -1.3873068 -3.2625604 -10.08083 0.75988275 -2.627116 4.825363 -1.487539 8.03987 7.8627973 4.689333 6.867298 5.595657 4.6311345 -7.5170755 1.7428386 -0.15167949 0.24905483 -4.1630983 -1.433403 -11.851289 1.5897175 13.77909 5.7228775 0.6165395 0.91259795 -2.0264 4.5912814 -2.5007694 0.34872577 -0.9605855 -5.296738 5.751352 -2.9358418 1.045438 -2.4505668 7.797186 2.6914449 2.2959647 -7.530991 -1.3435742 1.1778104 7.90579 2.713225 -0.7798339 4.0188518 4.305779 14.402951 -7.1588306 2.7216496 5.601503 6.245603 -1.5458592 0.67060465 -0.6953511 1.6247295 0.1614775 5.4447336 6.8222136 5.9881816 3.9768784 -6.1028953 -1.8327246 -9.03217 5.016631 0.6233498 2.158628 3.918567 8.906669 -4.8040843 4.239881 -9.781126 -2.709238 1.3872628 -0.39560997 -4.0996494 5.323423 6.6573544 9.862904 12.618115 3.7572944 -5.748043 -0.7939292 4.9727926 -16.522425 7.9941225 12.745071 -0.34295306 8.076254 11.993077 -6.9616356 -4.7211246 4.909772 9.005776 -2.9114044 3.6278086 3.19073 15.311157 1.0452493 -8.00469 0.9127934 0.41487014 5.399803 12.627777 -17.591894 -5.026981 11.791044 -9.791499 1.6459987 2.8528764 -0.079927966 -8.996341 3.3694472 -4.849351 4.0356545 6.651526 11.857796 17.072289 -1.9290144 -12.267524 2.8256178 -5.5252466 -7.9655876 8.814346 1.0790366 7.6073523 9.701019 -5.777602 8.63779 4.8693695 9.695443 -0.89518386 0.97332263 -3.099688 0.05719088 15.278766 6.4013796 -12.608151 -12.820508 0.739225 1.3567967 -6.106565 1.8464488 7.8283386 4.643279 -1.9615647 0.98718524 5.720721 9.098572 2.2205288 14.276285 -2.568521 -0.45087022 0.46371794 2.1918592 3.04667 7.3647428 5.336483 2.3163662 -6.078328 -0.49519557 3.9057672 4.0060563 2.6624997 -7.9479527 0.30523205 -0.565614 0.61302143 1.2229621 -4.1373916 0.018197624 5.6715155 -10.117318 0.23788948 -1.4100177 -6.1718946 -3.0382295 10.464323 -4.6158204 -3.6200218 7.7795777 -5.474905 6.5723267 -20.12585 2.6042962 -6.081245 1.6401736 -6.5927706 7.3483405 1.9414418 2.6529953 -4.6785975 -5.945109 1.72882 0.24637058 12.728723 -0.30373836 -6.6592054 -1.4943504 -1.369242 -2.950917 3.9050338 -3.2739387 4.665573 4.306297 0.9471945 -2.0751357 -4.159287 9.846039 7.505778 -0.324087 -1.3900528 1.8160532 2.388442 -4.867116 7.813268 -8.464962 -7.3261237 -3.8434892 2.2840683 -6.867655 -0.6462757 -4.774235 5.8947597 0.14946948 1.6700436 -6.3126564 8.658461 -4.3277917 -4.8934855 -3.6316135 0.3169396 2.3743265 2.267567 14.155901 -4.291783 -4.925936 8.187359 -4.1592793 -6.256899 0.6257227 -3.3658 -2.0609329 10.36825 4.5353065 1.6619927 -2.2241123 8.007661 6.869815 8.566158 2.2090037 8.151656 -1.3276814 4.5090547 -7.8905945 5.0206485 -0.37691027 4.3603973 5.6890645

Beta-D-glucosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate(2-) is a beta-D-glucosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate(2-) in which the anomeric centre connected to the diphosphate group has alpha-configuration. It is a conjugate base of a beta-D-glucosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate.

2.0595624 15.74201 -0.36714196 -22.535013 -8.374807 -25.429317 -5.465516 13.840272 2.0466268 23.876707 18.767668 -16.87886 7.7552595 12.990584 13.572162 -21.60164 14.947509 -4.194121 -50.171097 -4.6027317 -5.996361 -27.269962 -21.504797 -27.525265 -19.404291 -0.09351607 9.384317 45.956272 -12.812313 -22.278004 -3.1344903 -3.0771382 8.4797535 13.752616 39.60373 12.431572 -4.3271093 22.331146 2.1040764 0.57597053 2.7974734 -5.1135693 -2.222965 -19.160936 -24.902996 10.1163 0.83868045 10.132047 -5.275551 26.967743 28.080116 -12.647399 31.077559 23.737514 29.019907 -9.9479 -11.078463 -0.024973817 -8.8998165 -19.901253 17.690063 -22.716095 4.287578 31.919363 -14.740029 10.0845375 12.169944 -6.66594 21.720161 -7.8851137 13.547453 15.58001 -39.22026 10.1967745 -8.32091 -2.4817214 -32.941345 15.722401 9.961726 -10.006123 -23.752474 -7.27049 -12.768489 11.832248 8.5589905 -1.5516043 14.110293 -1.405333 25.005123 -8.973853 -4.3737006 9.894153 24.031647 6.003355 -5.000668 -4.282458 25.200493 2.11481 12.053234 -6.1210012 18.609161 0.3204346 -30.518354 -11.697537 -7.1468396 13.618958 -3.127859 -5.0404596 17.740604 18.947996 -18.369707 10.409451 -25.409372 -5.100913 7.093047 -15.7239685 -15.858015 11.293229 24.18584 36.29303 33.479477 6.121389 7.617489 8.309583 11.112575 -56.88264 37.9809 31.999598 -13.624077 31.404745 16.157513 -1.5883412 -34.95234 29.76728 41.733055 -2.3830907 5.0221114 5.8050356 60.53757 34.451984 -23.611172 -0.36028284 -1.3266957 22.455658 35.98117 -65.50477 -11.672937 26.593426 -46.97025 7.0612655 -5.0505853 3.7048032 -48.15412 18.076216 10.924132 0.52337164 31.407583 41.732533 57.760113 -19.548264 -51.796597 11.8547535 -17.283125 -24.002401 14.191421 -6.6261687 28.287865 32.299274 -30.34785 7.172702 19.232796 37.28698 4.1247616 6.527118 -18.67937 -9.703888 43.99071 33.513733 -13.845727 -17.707195 -8.873531 4.084154 -27.617851 -2.5686355 22.182665 4.896708 -8.550328 -4.9681883 4.289954 5.1901135 7.4795284 39.739742 13.439628 -4.571314 1.3080657 10.02906 20.250362 2.306345 5.1297092 13.823875 -5.9846244 -1.4056214 18.325209 26.938505 3.1059444 -5.7155795 4.7975616 -8.528167 9.210408 11.259712 -15.020298 6.162628 -5.8304744 -26.004091 4.6555266 -0.045393065 5.0255527 -2.1034956 28.742493 -9.212128 -3.917647 22.966967 -19.68008 19.718512 -35.92849 5.823965 -17.919703 8.761816 1.8095535 11.587816 2.4725037 9.785576 -9.744972 -15.341974 7.900283 4.543138 21.73688 -16.586945 -23.263876 -25.805136 -5.088704 9.419131 0.5679301 -14.609623 4.0644054 11.412108 0.9801862 -5.5329385 -10.454316 20.43607 11.494095 0.570155 -2.2280114 7.4868464 10.449651 0.7235651 13.661788 -29.285202 -13.790669 -4.628506 -9.163085 -32.046047 -7.92048 -2.1864784 6.406895 12.965999 15.678796 13.391937 21.078753 -10.2497 -12.089725 -4.15557 14.904761 6.7646723 15.838679 32.535526 -2.9436407 -6.9271083 17.79467 6.812922 -23.224886 20.322279 -17.057121 -5.766675 26.079683 -12.042794 -7.4743595 -10.033823 35.93431 21.327549 27.64293 4.89289 28.239693 3.8109343 4.3329434 -28.15139 0.89404035 10.492613 14.922763 10.671427

4,4'-diapolycopen-4-al is an apo carotenoid triterpenoid that is 4,4'-diapolycopene in which one of the terminal methyl groups has been replaced by a formyl group. It has a role as a bacterial metabolite. It is an enal and an apo carotenoid triterpenoid. It derives from a hydride of a 4,4'-diapolycopene.

10.745704 9.053993 3.1173668 -11.029898 -9.289235 -11.47853 -13.495007 1.3728443 -12.707934 15.033257 24.359852 -7.625249 15.714425 6.3872876 8.979518 -12.235488 12.929621 -0.15360014 -19.09978 2.907636 1.9210558 -8.899418 -5.247476 -12.051667 -13.885947 -1.1522678 15.227065 25.47678 -5.401416 -13.721671 -4.3670325 1.709738 -4.89388 3.5868933 22.547203 9.285857 6.602429 -1.0627556 7.4283414 2.9441612 9.208097 -1.0721784 0.671957 -5.2997656 -0.29545522 9.434875 -2.0454369 -3.335659 -1.5074997 -5.688057 13.020721 3.1502626 0.6404858 6.260482 0.562571 -0.6847542 -7.919474 2.3502567 3.6207874 -7.7200146 9.066859 -0.4562915 -2.2041256 11.133325 -4.842701 6.905255 5.718085 0.85173875 10.676777 -13.099293 15.046182 0.8932291 -19.336918 -1.1249968 -7.3540683 -2.0453243 -16.949299 9.634081 7.7305374 7.831322 -7.061232 1.2445523 -1.4668627 16.398613 1.1435709 -2.846711 -10.6907625 -8.671504 8.705605 -2.1999211 1.5028893 1.5318729 10.904553 5.062449 -3.3795192 0.072392836 1.7173878 -2.7320726 -4.3204675 -0.9678783 9.24289 -5.6362634 -7.2254176 -2.729117 -4.1715217 8.545698 -3.9946308 -1.4156837 6.983283 3.6480858 -3.1682925 2.9523475 -18.847584 -12.478246 -1.1118381 -6.665345 -9.46342 14.185693 7.336417 15.603233 12.7810545 -4.4696813 19.814363 2.367152 8.96834 -20.415678 11.969318 9.622311 -4.155408 9.457001 2.8062162 -3.1674476 -14.507069 8.01578 8.065449 -6.8973355 -2.878135 -3.618147 21.56774 13.45392 -1.0583229 0.23146296 2.9282973 8.5615015 9.639059 -29.716215 -8.707429 7.512727 -7.198711 -7.269567 -10.607463 -0.9043932 -13.2725 9.151831 12.371233 -9.757621 -6.7526636 11.071313 17.800014 -6.758033 -13.274767 13.01789 4.9296236 -8.738354 8.123441 3.7260144 1.2219889 18.080524 -9.401753 -0.45303681 -0.8017383 21.047215 -3.3922753 10.082997 -8.265673 1.898189 14.166025 8.01523 -2.60395 -3.7051907 4.554134 -1.6452972 -15.178634 -3.8904257 0.68593764 1.9435196 -15.807857 1.0263237 -4.300416 -1.1690125 6.9018345 12.774948 9.405339 -6.0359683 12.637354 11.154818 18.200344 -6.697169 10.556024 8.26576 7.77257 5.162079 -0.5349096 2.830345 -4.4742184 -5.0668225 6.191027 -9.94627 10.087698 -6.303538 -3.591085 7.3096914 9.893864 -6.2496586 8.767733 -4.9737225 5.8099866 -8.560373 4.286657 1.3502271 1.7659258 13.82852 -9.6625595 2.0532663 -8.590956 11.512382 -4.7066936 2.4804735 2.0127604 9.787544 1.0555452 7.2301793 1.9202368 -7.2889147 2.2532284 -7.142625 -5.921336 -12.248484 -9.9622755 -16.330658 -6.3406115 3.5710144 1.1289132 -7.625862 -3.6171007 11.959715 -7.256117 2.989564 -7.495835 10.376117 3.3316855 3.947506 1.7694736 1.7916842 1.1256653 -7.587252 7.946425 1.8669461 -5.053519 -6.1517277 0.83793837 -9.27925 -9.111717 -3.4490519 -5.9803414 11.956253 14.212222 5.6492786 8.531835 -3.1299438 -6.901146 -7.231176 2.8236325 6.039641 -8.71894 7.713349 -0.37224808 12.923416 5.673537 -0.8983373 -17.89835 20.244728 -7.1461897 0.37488008 2.3958542 4.265915 -0.83065385 2.22719 8.054906 11.997059 8.41973 6.237392 -0.76300734 2.9538984 -5.0792594 -2.7596984 -2.5977302 6.381308 6.374812 3.2127006

2-(2-hydroxyphenyl)ethanol is a phenol that is 2-phenylethanol in which the phenyl ring is substituted at position 2 by a hydroxy group. It has a role as a metabolite. It derives from a 2-phenylethanol.

-1.0981624 2.2733645 0.74310744 -2.1470947 0.74181193 -2.5349205 -2.732646 1.630151 -2.1524787 1.9508698 1.9787083 -2.6437616 0.45418483 3.6622355 2.3637743 -1.3228657 1.5718033 0.6760649 -4.381431 1.9149015 -2.3639119 -1.7966533 -0.4414154 -3.8663769 0.49552456 -0.028801471 0.07841611 3.5717082 -1.2186067 -1.6896764 -0.729531 -0.8509129 0.96305656 0.982523 0.8823575 1.7489635 0.8287562 1.9610982 -0.9125937 -0.08547494 -1.9938964 -0.17590344 1.8952677 -1.7873625 -1.9400054 -0.40082335 3.3139164 -0.43528607 -0.15125123 2.8614953 2.392518 0.61153257 1.2353686 0.8800676 -1.7706245 -0.49329686 -1.5228373 -2.147486 -1.9935732 -0.68650615 -1.1433136 -0.8216555 0.51450413 1.1790599 0.2504626 0.47293687 -0.9643362 -0.31516695 -0.8505821 1.2397568 0.24059933 1.1200819 -0.85015756 0.6577939 -0.72827536 -1.460212 -1.5488793 3.923481 2.1049895 2.3402662 0.7835301 -1.4621437 0.38549852 -0.74945813 -0.830827 -0.30422616 1.3565936 -1.1186625 4.0933924 -0.63273233 -0.085501164 -2.0320594 0.6884185 -0.08216484 0.6674867 0.36906582 -0.41404372 0.719218 -3.0726008 0.07611565 -0.34137997 -0.9454242 -3.2280097 -1.3946037 1.3643688 0.937694 0.72161406 -1.153121 1.6256758 -0.4107216 -1.314318 -1.9953456 -2.2875395 -1.5249447 2.9798474 -2.5247965 2.042856 0.3676314 -0.011746049 3.547511 1.3650502 0.6195492 -3.2594457 -0.34463078 3.1276762 -3.260128 1.5072562 2.3104765 -0.28762078 0.94706845 2.8744175 0.08136257 -3.6480236 0.5063319 3.819962 2.2436912 -1.1799703 -1.9527849 2.6193583 2.6279607 -2.5193534 0.68201965 0.11468208 1.996232 4.9378934 -3.8944938 -1.1628805 1.0479457 -3.854988 1.9236135 4.869605 -2.614946 -5.851589 1.307147 -1.848974 1.3186427 2.5602074 0.95880944 1.7247508 -3.3143148 -1.8850819 -0.32013905 -1.4594022 -2.3492348 2.9623787 -0.52763784 5.197459 1.9857539 -1.0883932 -0.6037327 0.21225467 0.77723604 2.9360447 -0.47087705 0.8583385 -1.6356978 3.0644767 0.6520433 -3.6174612 -1.0312141 3.4211278 -0.9776887 -3.6388016 -0.7764968 2.2580056 -0.0006376654 -2.0610142 1.0909379 -0.809121 0.43979096 3.1745946 0.6834879 -0.5832301 -0.266324 -2.7848904 0.27029383 1.3899299 0.09657548 -0.25831857 -0.24896646 -0.05551254 -4.6255183 1.7397056 2.1860576 0.13682656 -0.6860963 -0.10524045 -1.0288296 2.7876463 1.35004 -0.38930953 3.197824 0.45660168 -0.7099875 1.0626545 -0.2792517 -2.2797432 1.5717821 1.132542 -2.767067 0.64863324 -2.5941997 -2.6179256 0.42099988 -4.1700463 -0.13524655 1.891875 -0.05199992 0.65061843 -2.012204 1.254859 3.0106053 0.65981764 -0.6601833 -1.6210215 -0.28756642 -0.27539715 0.36410677 0.129669 -0.40967795 0.13339382 -2.5334728 -1.4823626 -0.5079381 1.285126 -0.5946711 1.1334543 -0.5453016 -1.4610095 1.9187444 1.3384005 2.7703772 1.2660605 -0.11844186 -0.967699 -1.1180385 1.8283051 -3.3913016 -0.9419983 -2.7801135 -0.8222131 -2.3780024 -2.6820545 1.3658956 -1.7722455 -0.7409489 0.48170203 0.47147217 0.9852524 1.844811 0.7628584 -0.5019317 0.6786277 3.622169 4.686973 -0.11620794 1.3490436 1.3973783 0.43265963 -0.5163204 -3.0951116 -3.3993018 -2.5687282 1.7046521 2.9294252 -2.1300917 2.3113353 -0.6030212 3.323303 0.77627224 0.8470086 1.1489174 2.8884685 -0.89167833 1.2129633 -2.1274438 1.09422 -0.3583002 1.4300532 2.582087

DTDP-3-amino-3,6-dideoxy-alpha-D-glucose is a dTDP-sugar having 3-amino-3,6-dideoxy-alpha-D-glucose as the sugar component. It derives from a dTDP-D-glucose. It is a conjugate acid of a dTDP-3-azaniumyl-3,6-dideoxy-alpha-D-glucose(1-).

3.6282206 13.670095 -1.8494031 1.6649896 1.5625823 -17.713621 1.1519177 6.7930493 12.663941 3.491174 3.7505925 -8.227858 -5.681647 15.490953 2.7069216 -1.0270182 7.796918 -2.568568 -26.703869 13.517548 -8.475253 -14.894269 -11.944168 -4.1112566 -10.507974 1.3711119 -1.4520869 10.379245 -1.4028006 -8.510112 0.4979612 1.0799845 4.606599 9.984448 17.29701 1.7734535 -0.26823032 9.3396225 -3.31797 -3.7696006 -7.868144 6.4409165 -0.6411197 -5.022463 -8.132763 0.58899486 2.5735466 2.0679095 1.7899637 9.171866 10.443576 -5.9008665 6.999284 4.340544 11.667727 -3.443856 -4.1889315 0.29537693 -8.55911 -3.9731457 2.4334354 -3.5238428 4.476011 9.788636 -6.538961 0.06774815 1.8554202 6.7815485 3.397737 -4.281392 2.403016 5.925959 -14.070833 4.5513935 0.9772914 -3.2517955 -15.691029 11.72969 4.440467 5.7694955 -7.3202662 -8.794958 0.22591119 4.453348 -1.3754169 -2.9247959 11.356951 2.3034077 9.441469 -8.214957 -3.536693 -0.29740423 2.5313761 2.0690634 -6.237257 0.59639424 9.875358 -1.1142519 3.708845 -2.7593658 7.147436 0.25263613 -14.0427265 -1.2987455 9.207057 0.7911437 2.3604355 -3.0364146 1.5131037 10.109222 -9.760818 0.04711494 0.60730714 -1.0355194 14.989027 -6.412178 -0.7289293 0.56255084 10.198154 6.605645 10.150727 1.0408683 -19.062716 -2.8919077 7.6118865 -17.506144 19.155722 7.4477167 -6.773498 11.381916 5.0942698 3.2113738 -15.992664 14.707041 23.978363 1.8702736 12.083164 0.7910446 13.709366 16.633 -1.079634 -2.6753178 -0.14375761 6.056929 21.244762 -5.5358315 -6.2748065 20.114807 -13.966058 2.1994612 11.580707 4.013468 -18.583118 0.29913533 -3.1193492 5.5416265 18.0533 11.645613 13.326559 -8.022627 -12.134131 0.27299267 -18.420298 -0.7420459 3.8186867 -7.9072285 25.735565 8.099831 -10.831737 -3.8677225 7.760149 8.590691 9.858464 -4.61979 -1.7377386 -2.756806 14.81878 8.7981825 4.0210505 4.301231 -6.9655056 1.4047081 -6.670042 -1.5833642 6.054446 -4.140967 1.8888512 -5.740668 2.1348257 -4.015655 8.377592 6.9084473 3.0984075 0.012640618 -2.9352636 7.981192 1.3388608 -3.6608214 -3.803339 1.435885 -3.2364867 -6.0703297 7.689342 11.346261 8.014232 4.2068887 -0.905057 -3.668638 4.206749 9.283389 5.1523423 1.4176958 -5.998412 3.031733 -3.1683745 6.8098154 0.91123694 5.073145 4.0550756 -5.520338 -5.229223 -9.265321 -3.044992 5.6682663 -6.851368 -11.504069 -8.01316 -2.9461548 3.5836644 -2.5676608 1.0879726 6.4757686 1.4724268 2.5767496 -5.5767646 -0.6763871 11.027379 -1.218719 -6.99225 -5.815176 -0.2784932 -5.8908167 -5.0973516 -1.385755 7.480099 -1.3659071 2.1276584 -4.844418 -1.0468688 -2.9159844 5.5225573 5.095687 -0.6420493 4.389936 2.929636 9.49129 -0.2547118 -15.784439 -4.546049 2.0132537 -6.1302967 -2.845929 -3.3124318 0.39116058 1.2208507 -4.343168 5.6526337 0.9979274 3.8297005 -0.83721817 2.2785158 2.7885747 3.614572 -5.921291 14.353805 8.537073 0.9515277 -9.396608 2.0865493 3.8978539 2.3588772 -8.275833 -3.6559324 1.7217277 5.8494554 -12.311383 -4.146891 -4.7689457 8.793001 0.10950701 0.49309433 -9.148478 16.28005 -5.628257 1.1216564 -11.658357 -4.5220933 0.27806824 3.1321602 5.6662445

Trans-beta-D-glucosyl-2-hydroxycinnamate is the conjugate base of trans-beta-D-glucosyl-2-hydroxycinnamic acid; major species at pH 7.3. It is a conjugate base of a trans-beta-D-glucosyl-2-hydroxycinnamic acid.

-0.0003503263 6.8923883 3.0952082 -2.9005475 -0.49545008 -13.7976 -3.7473364 1.324939 2.1608129 3.8360507 5.422037 -5.236887 -2.4804716 6.009885 4.2178073 -3.3210988 3.783944 -2.9118366 -15.363562 7.7589045 -4.802445 -7.8497415 -4.91244 -7.0900187 -5.3421907 1.1521783 2.3381891 7.43931 -0.6243324 -5.2345786 -0.66885525 -2.015328 2.5976725 4.659883 9.588715 2.264339 0.55950713 5.597867 1.7577702 1.4563384 -6.540138 1.6432481 0.008586563 -1.4879282 -1.4662459 0.35157496 2.5190036 0.4778597 -1.3513473 7.9980145 7.3658495 -0.78505075 4.553658 1.5945846 5.0725427 -0.16450559 -3.293951 2.0704114 -3.152749 -0.84824353 1.1117222 -2.1020794 -1.0219076 2.9612632 -2.5009925 1.3871069 0.91251 1.4692214 -0.14728628 -4.678223 1.9454104 3.7064333 -5.7015285 1.6260529 -1.6424639 -4.0659447 -10.471605 8.37229 1.9015133 4.5020595 -2.475499 -5.8570085 -1.9761131 1.1762806 1.186869 -1.5497005 1.4463319 -0.09295124 5.3439846 -2.5033164 -0.6916318 -3.143094 0.3818749 1.599018 -0.26101685 -2.2354798 3.4702332 0.98092204 -4.0613546 -1.4289739 3.9551947 -2.623767 -7.6984906 -1.408961 3.9496076 3.2319953 0.2299855 -2.05853 2.930629 1.5355622 -3.2483726 0.58557105 -1.1871793 -3.7876196 9.849106 -5.4438953 -1.2175409 3.711829 5.3183303 6.1703534 6.9229283 -0.48479906 -5.850405 -2.7036235 5.9318695 -12.574096 8.535481 6.3738875 -6.142607 3.4131148 1.3975017 0.63618696 -8.912336 6.657093 11.906612 4.565127 2.2726967 -5.506449 7.6245685 8.431849 -3.6626923 0.91733384 2.1758187 3.9802463 14.264775 -7.5081515 -4.6523085 7.5304127 -6.3634458 1.548291 7.4909105 -0.9184854 -9.501073 1.6018016 -0.50198823 3.0222788 7.8331347 3.5158062 9.651917 -5.5590115 -9.266183 1.8213816 -3.4164984 -2.2976072 6.125656 -2.4939978 15.854592 6.0094285 -5.3557353 -0.86650383 2.764703 6.0477834 5.5757623 -1.265739 0.3119447 0.026405588 7.4092374 4.7736616 -3.1479828 -0.8862023 -0.27378672 -0.29730898 -8.41955 -1.1423523 1.6631876 -2.6058958 -2.761864 -2.6220622 -0.7729491 -0.35242587 6.6194944 2.7920003 1.6078312 2.285375 -2.3116915 4.113843 4.2023287 -0.12800896 1.1181531 0.37036017 0.9507257 -3.6092343 3.53598 7.04983 2.254275 -0.87750626 -0.62996495 -1.6044388 3.5234194 4.158542 -0.19334929 2.3573346 -1.8898368 -1.6712879 1.4433647 2.6014526 -2.0845213 -0.43711835 2.3839808 -4.003963 0.7405789 -2.32628 -4.3276043 3.5898075 -4.6267533 -3.3620696 -1.0977857 0.47093633 2.6441658 0.46413633 1.2628337 5.614492 2.1407113 -0.27393907 -2.6918452 -1.8677415 3.6879914 -1.4830917 -6.42061 -3.1780453 -1.7568656 -3.7393086 -2.1578379 -1.2135978 4.456814 0.9673876 0.62468797 -1.9030553 -3.1061804 1.2824441 2.5344632 5.1454372 -1.7304397 1.667985 1.4219321 2.7587695 2.8299794 -8.2868 -2.8664653 -2.3912337 -3.281116 -4.9153 -1.5096762 0.28581968 -2.8464193 -1.191561 3.400229 2.2233963 4.500247 0.69575596 0.9483819 -0.71474856 2.1975894 5.399177 8.956673 5.721758 2.0418768 -0.07599832 2.3819032 1.3561667 -3.9646266 -3.097014 -2.5519485 2.0252845 5.3571463 -3.7974992 0.61551464 -2.8786166 7.1833515 2.7161767 3.0771866 -0.4759453 9.267929 -1.5376726 2.8588243 -6.8812184 -0.45299688 -1.0729822 5.2420845 4.246175

GDP-beta-L-colitose is a GDP-sugar having beta-L-colitose as the sugar fragment. It derives from a colitose. It is a conjugate acid of a GDP-beta-L-colitose(2-).

2.734554 14.625197 0.50013906 0.8835634 3.2883666 -20.79729 -1.4083997 8.226086 13.386023 5.328856 5.029091 -10.416098 -6.9657307 16.335531 4.4581037 -1.160062 6.651311 -3.3162405 -29.004658 12.611244 -11.204853 -14.889044 -15.365517 -5.0816774 -12.434556 1.245891 -2.2063756 10.492355 0.43656388 -8.116535 2.0702465 1.6633226 4.3998547 9.183731 19.63544 1.3604993 0.034789726 9.467545 0.79024696 -6.177012 -9.585916 5.113061 -3.2295406 -4.365278 -8.520739 0.30920142 3.674924 2.5407617 1.9981756 10.132725 12.119971 -5.902888 7.9424057 5.156848 12.842063 -3.3905454 -2.589068 0.72072494 -8.902836 -5.5495543 2.3991876 -4.63422 5.43133 9.466114 -6.984957 -0.9806552 2.6111114 5.8210773 2.6647465 -3.1439753 1.585507 4.519106 -15.659256 4.5637655 0.6266657 -1.1447972 -15.848284 13.59245 3.873313 5.681829 -6.9726853 -9.110086 0.31608322 5.3632016 -0.40271172 -1.7599595 12.053304 3.119543 8.958927 -8.925012 -3.347072 -2.8352647 3.5194583 -0.101749465 -5.840615 -0.54870707 9.782524 -1.6293298 3.4563813 -3.2283657 6.883584 1.5578078 -14.070866 -0.9063878 8.936794 0.60744554 3.2550402 -0.6308867 2.2103593 11.24376 -11.304303 -0.9634439 -0.38056394 -2.641157 17.456053 -6.387004 -1.5963337 1.4443951 13.852389 7.8592873 12.130394 0.08281395 -21.665253 -2.3162923 9.33127 -16.787975 21.962828 8.216851 -7.71324 12.886995 3.891767 3.911165 -17.237736 15.285536 26.171677 3.0616689 10.519021 -0.23541749 16.12727 17.631824 -1.1625395 -4.193994 2.245679 8.855871 20.932606 -5.7296834 -6.9563107 21.478079 -17.252138 2.4337785 13.227545 4.047492 -21.64074 0.10208438 -3.5654159 5.1700873 20.004082 12.619929 15.263601 -9.652086 -11.234304 -0.07647753 -18.78667 -2.8504546 3.7171571 -9.4666395 28.820498 8.632787 -9.666927 -3.6533809 7.0589337 6.5042715 11.091581 -6.4424562 0.09893855 -2.3743236 13.860594 6.0523686 5.250083 5.1937213 -6.4143443 0.111483015 -5.552881 -3.04114 9.002103 -4.9294906 1.6090521 -6.3731794 1.5257279 -6.2443333 12.501732 5.98555 2.7079527 -0.92147315 -3.6555905 7.69196 0.6847621 -4.8101563 -3.3458204 0.26532412 -0.69883704 -5.9873695 9.284725 13.236411 7.6493273 5.065258 -0.11328086 -5.4448195 6.2170596 9.999211 5.4615602 3.204093 -5.1615334 5.6865172 -1.865124 10.155724 2.6273541 5.6195946 3.4968016 -4.8620076 -4.161088 -14.7593155 -3.8497288 5.2328296 -7.302868 -11.841798 -6.9548244 -4.042222 5.865965 -4.1617618 -0.23463908 6.3740864 0.97004724 1.4042169 -4.431899 0.2638485 13.493855 -1.7595897 -5.2671137 -6.3274674 -0.012978137 -6.3119187 -5.1846957 -1.0132518 8.675523 -0.85787207 1.820646 -5.7277102 -0.14303222 -4.116448 7.8513885 5.0411124 0.95594674 3.9151492 3.5488832 10.741363 -0.78517616 -17.58801 -5.5794873 0.6440944 -7.52032 -4.2043734 -2.7617803 2.403752 1.3059597 -3.845171 5.377605 1.7384082 4.7027655 -0.09378852 1.6307846 5.3237185 5.0696373 -5.98052 17.233849 8.029512 2.1737251 -10.52718 1.2420093 3.6829054 3.6734142 -8.527635 -2.1998768 0.69016176 5.7329173 -12.862682 -3.949405 -7.458151 7.814722 -3.313648 1.808779 -7.3200126 15.623623 -5.42393 1.5693593 -11.89566 -4.449585 0.6106643 2.258163 5.3814197

15beta-OH gibberellin A3 is a C19-gibberellin differing from gibberellin A3 in the presence of a beta-OH at C-9 (gibbane numbering) (C-15 gibberellin numbering). It is a C19-gibberellin, a gibberellin monocarboxylic acid and a lactone.

3.852191 6.075554 -0.31618702 -0.9923128 -6.004225 -9.810567 -5.0865355 -2.7610703 5.168581 6.7022624 3.431163 -4.4797015 -2.5348318 8.519444 2.2579193 -0.005714208 13.4331255 -1.2786348 -11.239456 4.4926395 -2.7170806 -12.962607 -7.595389 0.93519187 -6.0264273 0.47249568 -0.89445436 9.208534 0.32763648 -3.8915575 0.78773475 -1.3887973 0.24795997 7.0025053 9.804801 -0.345518 -2.0196962 5.737917 -1.8378811 0.2345294 -5.5926385 3.2633417 10.956696 -4.8865232 -1.1161805 -4.8493986 -1.0584639 0.15353814 -3.7147222 3.522643 8.318492 -3.8502026 4.9710875 2.0349457 2.5927048 10.43198 -3.9753718 6.338574 -0.5537271 -1.4142994 9.324944 -7.76356 -5.247539 12.48396 -3.4728162 -2.6843734 5.3086 6.872347 1.9697274 -1.4546591 -4.0294585 1.5999695 -7.73456 -1.2761712 3.9478617 -4.6350827 -1.9605298 10.995364 3.4719675 7.6007543 -2.1440055 -3.4091146 -0.092528135 9.340775 2.5877674 -6.8272276 4.0534883 -2.4250963 8.936555 -2.6989224 3.949103 -1.0698212 -4.5269637 1.5371801 -4.0210547 3.197673 2.343153 3.1990802 -5.865088 -3.0859575 3.5240164 -7.6687884 -9.418768 0.8409394 9.139855 5.0476575 -2.3629024 -6.2617126 -3.3551424 6.478978 -5.644269 3.52426 3.885108 -1.1408972 9.716714 -4.686562 -1.4289784 -2.5150034 7.7614727 5.932896 2.1686184 1.1882652 -6.388523 -2.903736 8.759632 -10.234061 9.314305 3.1031804 -4.364237 7.3512836 -0.21304677 2.2663527 -8.600478 3.8283772 14.674645 4.473533 4.0213485 2.8193653 9.142629 6.964709 -2.2520823 -2.3134158 1.1382722 3.2524514 5.6762056 -5.851385 -7.251596 4.668284 -4.6577587 -2.4899216 -1.2727454 -1.2889557 -8.390247 3.729485 3.5659595 0.96054447 7.408276 4.656067 5.2876196 -4.139886 -5.6591854 2.2229853 -2.530188 -3.058273 -6.4976177 -0.5558008 15.755365 3.7473533 -9.329664 -5.927265 0.17273247 7.4233103 3.2706883 -1.2874037 -2.3797817 -2.7896917 2.410229 4.9903846 -1.7175052 5.1191387 -4.509605 2.7448626 -9.83798 -2.170148 4.1556787 -1.2779723 -8.148032 2.6209602 4.7663975 0.7983783 8.394165 3.2987547 2.4249105 -2.9289017 2.5122972 0.8692633 11.556491 -0.30175462 2.1037045 3.8879948 0.5598502 -1.1207452 3.2295132 10.281851 2.5661247 1.1490583 6.97061 -2.2923024 4.982404 5.3487353 1.2291052 1.090132 -3.7959769 -8.61199 3.6957574 1.8256036 -2.416134 -2.0905125 2.6304233 1.2707658 3.3578885 -7.2464247 -2.7792451 1.637024 -2.5916104 -9.011121 -2.6140318 1.0830812 2.388526 4.3241615 2.7075813 3.214739 4.3015103 -1.9138091 0.092376955 3.022912 3.5916653 -0.26222345 -5.301255 -9.413623 -4.0851865 -1.8090016 -8.398287 3.0166018 -3.558192 -5.9217086 -1.4264703 1.8000603 -5.3311753 -7.596278 4.073772 2.2726111 -5.5912294 3.0746558 3.4022996 8.198862 5.046178 -4.359865 1.4942949 0.5869353 -8.023118 -2.024734 -2.5720456 0.5971894 -4.3610997 -6.085151 3.5799093 -1.5027488 3.2610548 -2.8283238 1.4341041 -0.71383226 -3.3839312 9.476449 6.4499364 1.4887105 -0.8982937 5.0764523 -2.9029474 -3.3491452 -10.632057 -3.5940804 -1.8824317 2.8319917 0.7781877 -5.5534186 -10.603197 0.35790104 7.9782662 3.243806 4.9541388 -3.7249165 15.052121 3.7542531 -3.8869724 -12.929626 5.115361 -5.026073 4.346436 8.038221

Sphinganine(1+) is a cationic sphingoid obtained by protonation of the amino group of sphinganine. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate acid of a sphinganine.

1.4867705 4.0547495 2.8371964 -6.8345456 1.3190622 -5.5638833 -2.986689 4.5867605 -5.2710147 3.023549 5.941049 -9.0955 -0.4114019 -2.213276 -2.0868032 -2.7572212 -3.318532 3.6173503 -8.500461 -0.08129055 -6.713421 -4.1156855 -1.129694 -11.219635 -1.6367614 7.3620296 0.86046344 6.068789 -4.195914 -5.000209 1.837437 -5.605562 -1.8043989 5.0162888 6.5768623 5.118777 -5.128019 11.413968 -2.5462866 5.5945206 -2.7822874 -9.5251255 -1.0680752 -1.8790469 -7.90037 0.53314275 -2.0925627 3.9958923 -0.9265139 7.658614 6.604404 2.7648835 5.0967555 4.240697 3.7931643 -6.0646667 3.1068797 -0.44039893 -0.23828821 -2.8173573 -1.8615941 -9.818015 2.765794 11.118181 4.571831 0.42436773 0.013459101 -1.3129058 1.3708541 -1.62357 -0.820774 -0.8803909 -3.3461108 4.5087695 -2.5308092 0.77092165 -0.88171005 5.2962475 0.5684794 1.6372647 -6.438216 -1.7839371 1.0289339 6.320039 2.6004128 -1.829481 5.4062405 3.3227916 10.719905 -3.160548 2.543243 4.1289997 3.670567 -1.6621504 0.9789942 1.0836607 0.047605135 1.0265725 3.1967733 5.924377 5.066149 4.647062 -4.7567935 -1.6757121 -5.948874 3.2233498 0.56259954 3.9363139 2.4470158 6.796015 -4.208649 3.0062993 -6.43742 -1.5318073 3.1318736 -2.0565271 -2.2121067 3.672917 6.2309275 7.9519825 9.763364 4.600573 -8.029753 -0.32515362 2.2831383 -10.980962 5.9969287 10.018046 0.31339276 3.7024066 9.498323 -4.317787 -3.8079205 3.7527745 6.0611377 -2.3570795 3.4472091 2.1169164 12.647046 -1.6995322 -6.634098 0.7727345 1.9300497 5.3978586 10.262003 -12.383892 -3.478025 9.307659 -6.3351865 2.056249 2.6516445 0.79377675 -7.2852154 2.7325332 -3.3969567 3.0720806 5.8126564 9.114787 11.9113035 -0.08639474 -7.584802 1.7079915 -4.8169513 -6.829557 6.2274523 1.0050912 6.1940136 6.1933784 -3.6636672 7.5132523 2.9687223 8.807524 -0.9695105 -0.93390894 -2.7866724 -0.3522702 12.643358 5.7812667 -10.787415 -12.859457 0.48204833 1.1310754 -4.7098985 1.9133736 6.4380145 3.0409832 -0.6981576 0.39854103 5.8873773 8.21113 2.4498205 11.6259165 -3.6557043 -0.8304008 -0.9457644 2.337626 0.06379014 5.8394628 4.5652905 1.4926468 -4.5532293 0.21943991 3.4632583 2.9712374 2.8376522 -6.521382 -0.23676884 -0.12643766 0.0042061955 0.93036413 -2.1526363 -1.2256453 3.5730245 -6.6358504 -1.127425 0.2640884 -6.3105044 -0.6731638 7.58417 -4.2776732 -2.7937512 4.566037 -2.735998 4.4163103 -15.163915 1.1072927 -5.248892 0.30941772 -6.401035 7.7935047 -0.4227355 1.9997349 -4.7109556 -2.9271195 2.360119 -1.3657316 8.991535 1.1170648 -4.267066 1.146701 -0.70754695 -3.1685908 3.0673234 -2.6943703 4.830664 3.2212474 0.118786186 -2.3499227 -4.5178185 6.668624 5.479399 -0.1227148 -0.5449979 3.3734968 1.8802104 -3.4404855 4.559709 -7.6156216 -5.295695 -1.9953815 1.4203677 -4.5175867 0.2860963 -3.5867844 5.220293 0.626096 2.051085 -5.4103785 8.194789 -2.712387 -3.6276586 -3.318765 -1.1318294 0.9355606 3.2880898 9.495154 -3.1479416 -4.048127 5.518751 -3.5161254 -4.0101256 -0.72332275 -2.8187408 -1.7402285 9.270912 2.6943748 -0.30858356 0.44930917 6.6509676 4.9281926 7.224554 2.12616 6.259867 -2.481302 2.1993673 -8.42236 3.1691585 -0.53827137 4.2839375 4.7511296

N-(2-hydroxyheptacosanoyl)-15-methylhexadecasphing-4-enine is an N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 27 carbons and 0 double bonds and is 2-hydroxylated. It derives from a 15-methylhexadecasphing-4-enine.

3.7909763 8.641713 3.3378966 -16.775421 2.1332223 -12.339125 -4.9855533 10.782009 -11.64476 6.211758 11.327602 -18.352358 1.1101905 -5.299896 -3.4773738 -7.138636 -4.481621 8.94359 -19.541742 -0.1811898 -13.31115 -8.357769 -1.2125657 -26.10485 -6.503271 15.2337265 3.4849243 17.08686 -11.4560795 -9.746699 4.134982 -10.416607 -3.3185914 11.855714 15.247766 12.925047 -10.534722 25.23331 -7.18616 14.81785 -3.5704808 -18.994516 -2.1194642 -3.706158 -20.335312 -1.0884372 -5.1631594 7.5603843 -1.9043111 15.076471 14.080125 8.281841 11.300954 10.540608 9.830023 -14.027286 4.8718386 -0.055120543 1.5265763 -7.7139544 -4.625739 -22.673243 5.380153 24.747885 10.551857 1.7684644 1.1318883 -1.4386773 4.0133123 -5.3966017 -0.6970973 -1.4675622 -9.987432 10.658627 -5.614668 1.5697742 -3.4339464 11.091106 3.314337 4.668984 -15.637612 -2.4521315 1.3162009 14.671051 5.479315 -3.1987648 7.4398994 6.0564485 25.876682 -10.693269 4.449628 10.36691 9.728843 -3.2792428 1.9822488 0.33457586 0.3150881 1.6228844 6.960403 16.371279 11.501894 9.451437 -10.1750555 -3.0091891 -14.296979 8.593885 -0.22766869 7.2176766 7.057378 17.35879 -11.286508 7.998397 -16.60753 -3.457975 3.3802698 -3.863252 -4.8494663 9.680598 12.243575 20.839098 22.780823 9.520521 -14.063225 0.7765751 7.9783525 -29.124443 14.9592495 23.57771 0.27659813 10.501248 24.525686 -12.709373 -8.8687725 8.287932 13.625025 -7.4705057 7.4377856 4.7135987 27.643383 -3.1248941 -14.187648 1.6547196 2.8106422 11.475144 22.194275 -31.37345 -10.133403 20.520376 -17.02202 1.2833985 5.4917517 -1.9480087 -14.368135 8.101252 -9.493165 5.4045296 10.345534 20.423426 27.74122 -1.3530265 -17.948395 5.035918 -10.271859 -16.071112 14.645476 3.4819193 12.978283 16.439816 -7.99785 13.373224 4.8485293 20.077642 -3.290711 0.61533433 -6.379261 -3.05479 28.01574 13.397705 -27.317799 -29.650072 2.714772 2.6666691 -10.46285 4.1011057 14.953675 9.731625 -3.8244312 0.9632807 12.413461 20.13859 6.164958 25.269339 -6.4294033 -3.6854038 -0.13066247 3.493313 2.3650248 13.53624 10.78927 2.6106043 -10.898665 -1.3113266 7.0415034 6.8524146 4.7507787 -15.834362 1.8230498 -0.035622865 2.5861483 0.5536358 -5.453957 -2.5636618 8.971666 -17.422096 -1.116986 -0.3363877 -13.744179 -2.5412328 16.55916 -8.205297 -6.8093834 11.291823 -8.671802 9.031088 -35.49221 4.303314 -11.173728 1.6591144 -14.378464 18.176054 0.12740828 4.221792 -11.53255 -8.334542 3.8876312 -1.9337872 20.174383 0.9160377 -9.615034 1.0269583 -3.1021857 -6.0640674 7.7368097 -5.986186 9.54769 8.795185 2.121265 -6.296212 -9.400245 15.503916 12.586091 -0.6101166 -1.8778348 7.3651156 2.232047 -7.859028 12.435454 -13.579696 -13.01754 -5.6582384 3.648297 -11.091584 -1.9916538 -7.584146 10.73855 1.1654522 4.2504306 -10.758025 16.069511 -7.52033 -9.109734 -9.060843 -1.101068 4.155051 4.2342243 21.86933 -6.9296002 -6.2220483 13.957212 -8.641638 -11.8600855 -0.24705514 -6.204036 -1.5596298 19.664576 8.205528 0.5627911 0.2722376 13.928822 11.968286 16.294134 5.084472 12.906158 -3.7517846 4.524975 -15.764732 9.134121 -0.68986154 8.591496 9.155271

D-Galp3S-(1->4)-D-Glcp is a disaccharide derivative that is 4-O-(D-galactopyranosyl)-D-glucopyranose in which the hydroxy group at position 2 of the galactopyranose moiety has been converted into the corresponding hydrogen sulfate derivative. It is a disaccharide derivative, a partially-defined glycan and an oligosaccharide sulfate.

-2.2473822 6.6719594 3.183431 0.7239847 0.9818911 -20.542519 1.0910145 -0.36689422 11.215646 4.2229996 0.77908534 -5.8899193 -9.336374 8.2903805 6.416173 -3.5907507 4.0726166 -7.181239 -22.988825 11.409082 -6.8667035 -12.7421 -9.061781 -5.1012287 -8.150862 1.0713047 1.1366502 5.9475527 -0.8072542 -3.6692903 0.6537843 -0.9377555 2.3646202 9.201875 14.640584 0.811512 -5.2991734 9.355298 0.97719026 -1.2152936 -10.054085 2.9941351 -0.40197316 2.7285883 -3.5863323 0.18678017 0.83868146 4.7628636 -1.7500346 19.412066 5.7449107 -1.2147263 10.327957 1.7977856 11.358254 2.1823752 -5.681929 8.512325 -3.9916909 -2.9334853 4.4024935 -6.905772 -0.043432355 5.028734 -6.6426744 -0.4170249 3.3456511 4.131935 -0.49587286 -6.3820295 1.5467335 3.1554387 -5.78074 3.7135503 0.25087 -6.9188986 -14.7823515 12.018134 0.51658446 3.7135248 -4.8988442 -6.891431 -4.114501 2.7239792 3.584404 -1.5219135 6.0574784 3.0964732 7.1849647 -2.8544846 -0.1729496 -1.2595944 -2.4263084 2.5182471 -0.2791109 -4.796686 9.541668 1.7444046 -0.59672815 -1.9981099 5.17997 0.26733953 -12.929665 0.6669975 8.866708 3.8094888 -1.3081986 1.2839365 2.4793372 2.7142472 -9.280374 5.7229214 5.3784266 -3.1619074 12.375795 -7.8342295 -3.6297407 4.737624 8.031668 9.431629 9.660153 3.0737376 -11.793426 -5.620207 6.0013485 -16.01335 14.075925 5.5522013 -10.611514 7.0003047 0.15950319 2.360806 -8.47334 14.072159 17.838673 4.02754 7.3557625 -3.7393556 12.105012 11.6241 -9.003771 0.26916206 3.9006283 2.3973062 21.036854 -4.8303947 -8.40266 13.815931 -10.410476 1.808161 9.7460165 1.4496258 -5.7288585 0.9287944 -0.29134774 6.477919 16.139715 7.514225 16.599768 -3.1262293 -14.573626 1.4947922 -8.227547 1.1946278 4.5260563 -2.3354406 25.273947 4.919859 -9.716871 -0.99930036 8.755323 10.331331 7.8751116 -2.4668937 -3.051778 2.2557049 11.696323 11.595208 -2.1035762 -0.9834132 -9.825444 4.901492 -9.058507 0.16551481 1.6668149 -2.0790427 3.9631386 -7.0685225 3.66046 -0.9823902 6.480194 5.957357 3.223705 7.2207923 0.553425 5.403133 3.3754563 1.1736577 0.8483837 1.1846688 0.33652306 -3.526513 6.9916387 12.189431 5.7113523 0.5778073 -2.8038008 1.2502059 0.7340285 9.194397 0.668463 -1.871663 -7.9730835 -3.257209 -4.0097003 6.8164325 -1.5003604 -0.5782492 3.0906978 -6.8132873 -3.9217346 -2.3709698 -1.3661638 8.996938 -2.8527355 -10.480051 -7.8641787 3.8406284 5.626929 3.934004 1.0588104 4.492296 3.410223 3.3583198 -2.8161678 0.35871404 11.365696 -0.19021809 -13.559061 -5.4479194 -3.6787746 -2.5770204 -1.2026137 -0.3746066 6.6023855 2.8248756 3.0826104 -7.18799 -2.8320365 -2.4023864 2.249352 3.91375 -5.5831184 4.700051 5.0838923 7.0640426 -0.08077929 -13.568825 -5.903283 3.490973 -6.329944 -5.7650566 3.6785207 0.17813605 1.0484679 -5.7336907 6.0444884 4.7154226 7.0583954 0.35280654 1.0180596 -0.041658238 -0.34835055 2.6555974 15.168356 12.350841 -0.3747025 -6.9270306 7.362689 4.065176 -0.20720518 -3.4487991 0.7373431 1.6497635 11.16179 -9.438977 -3.5335965 -4.302437 12.381841 4.046643 5.161445 -6.1931543 16.602823 -1.6341982 3.3762333 -12.302345 -2.0754533 -3.7468934 8.660645 3.5904386

Tensyuic acid C is a tensyuic acid that is tensyuic acid B in which the methyl ester group has been replaced by an ethyl ester group. The (-) isomer. In contrast to (inactive) tensyuic acid B, tensyuic acid C shows moderate antimicrobial activity against Bacillus subtilis. It has a role as an Aspergillus metabolite and an antibacterial agent. It is a tensyuic acid, an ethyl ester and a dicarboxylic acid.

1.4151661 4.4820843 0.03821551 -4.4639683 -2.689882 -5.528385 -1.5261637 3.4674175 -3.460378 4.0118747 2.6275265 -5.483782 2.0367835 -1.5687491 -1.9256278 -2.7513075 1.99911 0.99271005 -6.063518 2.582974 -3.826589 -4.1113877 -1.7267756 -7.7170267 -3.3117666 1.3518753 1.5368917 5.3935523 -3.6631021 -4.810979 -1.4056985 -2.9882247 -0.67652774 5.0306153 3.9661636 3.7597659 -2.1497912 7.1850066 0.5950221 6.7157693 -2.7932737 -0.562615 0.5621023 -1.5468311 -5.793679 -0.2956072 -1.1378448 1.5854211 -2.511702 4.07196 5.6352606 1.6555719 1.9215187 4.2323327 4.4920797 -0.87372196 0.86579466 -0.13661684 0.25598055 -0.8892952 -0.9387291 -6.03067 0.6638222 7.7167144 -0.8252745 3.8067558 2.2492712 -0.44909632 4.1109324 1.0844401 2.099506 3.1425004 -4.953833 1.6396934 -2.5424984 -2.0537734 -4.7877817 2.734484 0.9496722 3.2535892 -5.690813 -2.5446446 -0.8417915 4.442443 2.9022868 -2.5951452 -0.1449875 3.7495172 6.5097694 -1.1606605 0.35080487 2.9092526 1.7591473 3.9114997 -0.81792724 0.622059 2.2946193 -2.7682858 0.31710365 1.337091 3.4465282 0.26674128 -4.692366 -3.1650653 -5.1438394 0.62648755 -2.4860752 -0.5148933 -0.2706225 5.5921783 -1.2615827 -0.86745894 -5.7106476 0.09256034 -0.80020976 -0.5335888 0.4921741 3.2860389 3.0498245 4.6744895 3.7612948 0.79197264 -3.2137706 -2.4851146 1.1632807 -5.9579663 6.0070014 6.830367 -0.27036765 2.4726388 6.388757 -1.3846215 -5.8252454 4.427348 5.90772 0.4305725 0.27197027 2.1540391 11.071944 0.01370056 -3.7821705 0.33876228 -1.2787776 4.371711 7.6822824 -10.64437 -2.645587 4.4573164 -3.7148917 2.982677 0.1334767 -0.68165135 -5.5212765 2.0865707 1.0375546 1.4616944 6.349299 6.374029 8.093983 -1.0632626 -8.579732 2.0657833 -2.0666163 -5.0515494 0.47688228 -2.8924305 7.5983253 5.8876743 -5.2410727 3.0167944 1.1288064 4.644224 0.66919214 1.9420962 -0.9865147 -1.6668798 10.107136 5.7222366 -5.8438244 -7.1051455 4.323539 -1.1932429 -5.455217 1.5760611 4.983782 2.085834 -5.167631 0.9479761 2.8923109 3.803018 4.402276 7.665795 1.6029067 -2.0332944 -1.330738 -0.13910066 4.6147966 3.6386483 2.0283968 0.14620313 -6.63792 -1.0134976 1.9237837 4.479983 -1.3307576 -3.627374 2.9459243 0.8699148 2.9967747 3.774314 -0.86168087 0.6601291 2.011328 -4.184434 3.833644 0.0081646 -5.671275 -3.4123662 7.813186 -0.10430697 -1.7595094 5.560343 -5.353065 4.7482834 -11.807902 2.1880858 -3.291828 4.2790046 -4.4676366 3.5767028 1.5961614 2.5163882 -3.4860992 -4.6917315 1.7465711 2.2054214 6.0350904 -1.1215022 -3.514981 -1.4170057 0.11053111 0.8667512 1.0636778 -1.3728508 0.69385135 -2.7987566 0.540776 -1.227162 -3.6072354 1.3342576 5.203664 1.1860583 -2.15002 0.62962383 0.18967834 -1.0968261 4.517979 -3.6788294 -0.84352577 -1.3942292 0.8288228 -4.74504 -0.9280251 -4.146166 0.86204886 0.79545426 2.055191 -1.9594251 3.6186848 -3.252362 -3.5896773 -0.31375116 3.3118274 3.582421 3.0129151 2.6077452 -3.146533 -2.4445624 1.2864652 -2.3906024 -5.665216 -0.0482916 -0.34888482 -0.6119865 3.474267 0.36028138 1.4256513 -2.2261567 3.1941266 1.9376843 7.5967717 -0.11665261 4.5494156 -1.5107069 0.42189014 -5.3893414 2.2701995 -0.5438618 3.981791 4.5686364

3-O-vanillyceanothic acid is a pentacyclic triterpenoid, a dicarboxylic acid, an aromatic ether and a member of phenols. It has a role as a plant metabolite. It derives from a vanillic acid.

4.917708 6.8929977 -2.0296164 -5.900846 -8.585951 -10.802471 -6.663491 -1.8088617 3.5302556 11.271942 12.062581 -11.04137 -2.3258672 15.98107 5.9428587 0.7587369 21.030594 -3.5349908 -16.194212 9.180461 -5.130327 -17.239143 -9.621078 -4.263307 -10.371929 0.6687924 -0.12311843 22.824984 -0.8668682 -9.542125 3.1277542 2.135747 -0.34293568 10.13626 13.866435 0.56926525 -1.6525011 9.228027 -3.7683048 0.86914253 -9.864963 9.737257 17.420858 -8.033499 -1.9094421 -6.0068135 3.3786309 -2.4666343 -3.5486557 9.077073 12.767774 -8.781436 6.84556 2.7346053 5.7904496 13.013307 -4.730008 9.320533 -3.1925397 -1.1552943 9.190535 -10.585864 -4.981323 20.146168 -7.60364 -2.5610795 6.011624 3.7557092 6.419663 -1.9481872 -5.9545236 3.9635136 -13.198779 -0.7915363 3.602541 -8.680517 -8.229837 15.802262 7.893361 10.870133 -6.482156 -6.1983457 -2.5254767 10.704061 4.813628 -10.322366 1.9953153 -5.780875 17.703478 -3.3342602 4.124913 -3.6648457 -4.789999 7.2015066 -1.3209816 6.3514156 2.340704 2.5673592 -9.431294 -6.3992224 4.437874 -16.540398 -13.096218 -0.39002958 7.881577 8.198406 -11.29633 -17.047716 -4.9527707 13.583299 -10.332612 4.4917593 1.6378617 -0.7286362 12.9051695 -10.617524 2.2988281 0.2269656 8.332858 12.656449 3.8400974 4.769972 -6.0000653 -5.207525 15.300567 -19.093433 17.177807 7.2975855 -6.9845233 11.732419 3.235261 3.345245 -20.052343 7.4589777 17.420145 8.901095 2.5005987 2.4317262 18.86714 12.638154 -10.929023 -1.6887646 0.21900195 7.3746943 8.483658 -17.202227 -9.661049 7.90826 -9.554486 1.9112062 -4.016484 -3.1000652 -14.679033 6.152933 8.89607 0.7566599 11.054145 7.8755336 13.19618 -9.144374 -12.081344 2.609618 -7.3326607 -6.7358594 -14.007635 -3.156627 20.854067 8.211775 -13.486217 -5.969102 3.020329 8.878573 4.489101 3.0596187 -3.1177385 -6.407433 4.375718 13.672958 -6.4108734 2.1934285 -1.11363 4.2068353 -15.174426 -1.4616216 9.259902 -0.9717158 -13.159899 3.131202 4.423071 3.434707 14.356929 6.162713 8.412231 -8.391257 2.7681663 0.37746 14.888862 -2.1028833 3.5834916 3.9959488 0.7041131 0.1278547 7.8930697 14.995354 3.4858892 4.3292184 9.630451 0.45005992 7.2365856 10.920263 -0.7856499 1.1931933 -8.393145 -11.47639 7.744936 3.725442 -2.3766778 -3.9019368 6.0294585 3.7853959 8.605927 -6.178564 -11.7777815 1.766885 -5.539619 -10.680386 -2.5124297 5.3538785 1.5706762 8.946966 1.5256937 6.8152404 3.1884441 -7.3653154 1.0756032 7.412315 3.725757 0.11803566 -6.5767226 -13.376771 -4.7673054 0.8994466 -8.308679 3.0209475 -8.881813 -6.943586 -0.26933065 7.7617555 -6.9165025 -6.245815 4.082017 4.9632835 -3.33212 1.7040503 -0.67528605 12.377718 7.0613394 -8.722987 4.462651 -1.0299325 -11.136447 -1.2825491 -8.275642 -0.7435623 -9.466496 -6.580891 1.319588 -0.25096998 7.308234 -4.2722373 -1.1904033 -3.264641 -1.8565145 17.693274 13.097677 -4.5030527 -4.386457 3.3789668 -3.727246 -7.048323 -19.670774 -7.0897055 -2.275877 2.890214 -0.13533741 -10.60877 -11.201153 -1.9775817 14.236108 4.0737247 9.600148 -3.854622 21.32289 3.104188 -5.6270022 -19.268015 2.8366897 -5.6327443 6.5880947 12.386652

7-deacetylgedunin is a limonoid that is the 7-deacetyl derivative of gedunin. It has been isolated from Azadirachta indica. It has a role as a metabolite, a plant metabolite, an antimalarial and an anti-inflammatory agent. It is an enone, a cyclic terpene ketone, an epoxide, a member of furans, a limonoid, a pentacyclic triterpenoid and a delta-lactone. It derives from a gedunin.

3.6177251 6.701429 -2.3937497 -1.6854367 -4.693749 -5.64305 -7.1170344 0.8886205 2.7271888 10.409481 9.75744 -7.8249826 -4.0792117 12.018502 5.1088424 -3.5407925 15.101489 -2.0084171 -15.029352 3.2931032 -2.7532463 -16.97059 -7.987957 2.3090773 -6.734623 3.231062 -0.41223228 14.40128 -0.42628703 -9.420313 1.6680789 -0.7891102 -0.20364511 7.3574796 9.736832 0.77834344 0.1676631 6.119044 -6.034302 -3.195082 -5.3102245 6.4890647 13.237253 -9.0979 -2.7009645 -6.664036 2.4427593 -1.9276227 -1.8490294 6.456204 8.7041855 -5.237614 10.046088 1.7550843 2.11849 10.341395 -5.1989717 3.6927536 -3.4096832 -1.0645587 11.276815 -7.4539194 -4.6894674 12.763308 -3.6281447 -4.575198 7.14538 7.6827254 2.933459 -3.4180973 -8.538879 0.48970094 -9.336626 0.84220797 5.848591 -4.0129704 -2.3272107 13.664628 5.197515 7.1492248 0.40452003 -2.9391513 0.9518319 6.6844807 1.1976088 -4.97191 4.590588 -6.022422 11.5205965 -3.9926908 4.045123 -3.7355587 -2.595738 0.1583113 -1.5955224 6.237006 2.3132749 7.3746924 -5.9728293 -5.8289685 -1.844665 -12.928051 -9.049818 -0.082444 11.313206 7.7016215 -3.1468568 -11.52658 -1.6955757 6.3279843 -9.8253975 3.5537565 0.58294797 -3.948069 12.197833 -5.7685733 0.38761747 -3.9244223 5.5008016 10.780649 4.2894793 1.2217 -5.9318047 -2.7721615 13.228285 -15.268619 10.78839 3.268053 -3.475035 11.498976 2.4675019 2.2618654 -8.349663 5.0273304 13.620025 5.589744 3.699541 1.186197 6.6476316 11.534844 -4.9419355 -2.9161308 0.1820085 5.4012 6.9245253 -6.8467317 -6.903883 4.55877 -9.066591 -3.8257208 0.62419474 -4.535733 -13.391829 3.0988815 3.4040449 -3.1538782 7.178126 3.5471013 6.852296 -8.8771715 -3.8582082 2.7992294 -5.040991 -5.642546 -6.3263855 2.158882 15.206647 5.325564 -13.006472 -8.420834 2.0719292 7.6014705 3.8150604 -0.5106999 -3.2652135 -5.7852087 -0.11262599 7.0725627 -2.5356042 4.912793 -3.243505 3.775074 -12.247875 -2.7288256 4.1011024 0.59546685 -9.285307 4.6480684 3.3589268 0.5206791 7.168092 0.69155335 2.3476133 -3.0119605 4.621339 -1.1983418 12.216712 -0.3731308 0.3311908 3.9049711 0.8080734 -4.2890916 3.3243566 12.867318 2.982935 4.212339 6.7553515 -2.2927303 5.686256 6.1369467 0.42133713 3.045863 -4.3896747 -11.232332 3.9544764 1.6459132 -0.121257015 0.950576 0.07399528 0.4861815 5.8927584 -13.392168 -6.5261526 -1.152582 -2.0128334 -9.084479 1.8202269 0.90188825 4.261601 4.015537 2.6821551 5.7466683 6.0435658 -3.3501585 -2.2803466 0.77103686 3.3122284 0.34642273 -3.397299 -13.079021 -4.0135255 -0.87796736 -11.244498 3.4594364 -5.4814405 -4.9053392 -0.27300254 4.7688084 -6.46541 -7.05032 3.9857905 4.484015 -4.5998755 0.3897005 -1.0715306 9.656555 5.942477 -4.4404397 0.30764425 -1.7142403 -9.037207 -0.26338154 -4.5406003 4.4131923 -6.6153092 -5.7748284 -0.78087115 -1.3625959 3.1075425 -0.18414748 3.1000624 -4.3244624 -2.9963672 10.333705 12.2003765 -1.1552174 -0.36148685 6.902175 -1.6659282 -3.0372617 -15.26117 -5.45222 -1.6433935 7.1572084 3.040819 -7.1295295 -11.513091 0.9682895 14.442971 4.4312606 3.9205022 -2.3107417 19.24448 4.847303 -4.146562 -15.023756 6.33989 -3.7481966 0.7094331 10.650939

Rel-(-)-(1S,4R,10R)-1-hydroxy-4-methoxycembra-2E,7E,11Z-trien-20,10-olide is a cembrane diterpenoid that is cembra-2E,7E,11Z-trien-20,10-olide substituted by a hydroxy group at position 1 and a methoxy group at position 4. It has been isolated from the leaves of natural product found in Croton gratissimus. It has a role as a metabolite. It is a cembrane diterpenoid, a diterpene lactone, an ether, a macrocycle and a tertiary alcohol.

4.267359 4.8449244 -4.2575483 -1.799913 -5.907995 -2.4321778 -7.7818747 -1.1316459 1.0401639 6.9517703 5.133152 -5.1094356 0.7751831 14.211474 3.6142066 -1.5399536 8.575734 -1.7422373 -7.886945 6.6997166 -5.5164385 -7.505041 -7.759643 0.3218786 -6.234831 0.82798666 -1.1114324 11.923869 -0.5362302 -5.486744 2.5422313 -2.629913 -1.1374735 6.4797997 8.692674 0.7334077 0.50149363 3.5670147 -4.3209524 -1.3826524 -2.3646958 4.1733055 9.790582 -4.8086667 0.4592473 -6.0711436 3.4848402 -4.1627827 -1.454352 4.06218 7.4352946 -5.4437995 3.9060416 0.8834052 0.021336041 6.6835527 -0.5184945 1.8209878 -2.0933204 -0.46264553 5.515896 -6.294857 -4.2524233 9.91275 -2.477831 -2.7889376 1.9115914 6.2422514 -0.7854735 -0.30288118 -3.7024748 2.1746612 -4.790958 -3.3518043 4.343611 -2.6608388 -1.352793 10.311736 5.9459033 8.446101 -1.3942875 -0.5264119 2.2054737 8.076733 2.771419 -6.7158437 2.530971 -6.039742 13.595103 -6.1187696 0.7762907 -0.7534241 -2.6980987 0.5594916 -1.9403397 6.6750846 -1.5288074 3.3467577 -5.39725 -1.4645603 -0.37118918 -10.422276 -5.947073 0.31054172 6.070216 2.3643324 -1.9062127 -7.473644 -4.1431484 4.301223 -4.0923448 -0.42921478 -1.2775786 -1.0752177 6.8226347 -2.063225 1.6971903 -1.6441985 4.531148 5.490276 1.9981122 1.8079503 -3.0982428 -0.334045 7.5333505 -10.399006 8.700057 2.4326775 -2.0028195 7.2312107 5.5003552 1.8217192 -10.343502 1.4665914 9.662687 4.0338697 2.4982889 4.2227106 6.0658994 7.960305 -3.9214375 -1.3576865 -3.0749855 3.0301733 1.5234636 -6.8467107 -4.9689007 2.2660508 -3.5831654 -0.2515769 -2.4184442 -4.11321 -10.099117 3.947877 1.3233217 -2.8020017 3.5881028 3.3753314 1.8995923 -5.2448244 -3.0767524 0.8756338 -4.9769835 -3.9463484 -3.2070286 -1.123487 7.681795 3.5904853 -6.3545213 -3.63337 -0.36908597 5.041875 1.9830278 0.977577 -1.1579266 -2.6551867 -0.56101716 6.3211513 -1.8169426 2.6444204 0.4458158 3.5455594 -6.12496 -1.8439165 4.842531 -2.172472 -7.91029 6.2073655 0.56072736 3.3829317 4.9953184 3.4365857 1.3438246 -4.153358 1.4027687 -1.0878565 6.315922 -1.7516375 2.4597077 3.5897894 2.8508916 -3.095487 3.2895267 7.4436016 1.562156 3.7224824 3.8349802 -3.4952343 3.5779433 4.702994 1.0553255 0.65700567 -2.1501658 -3.9473584 1.9867544 1.7043563 -0.78143364 0.24561241 -0.58288676 0.0894167 4.61611 -7.48124 -2.744518 -0.79727966 -3.719053 -5.896078 0.60386604 -0.36706156 0.98889977 1.7115026 2.989897 3.5055416 6.1315 -5.645658 3.8503408 2.2801077 1.0103877 0.48693013 -0.5836209 -8.120175 -4.1748986 -2.857104 -5.1309805 1.4811798 -4.256977 -3.1123195 0.34069708 3.0792618 -4.071862 -6.664395 1.652003 4.359665 2.0629 1.7364042 0.20515442 3.5707555 4.647238 -2.8482747 2.9482844 -1.1652625 -6.459156 1.7545955 -7.227405 0.700005 -6.814262 -3.8275862 1.4082077 -1.9352221 1.9403921 1.2663625 1.6436319 -2.219152 -3.9208772 8.225744 5.15444 -6.896557 2.588124 5.121443 -1.4626803 -5.310706 -11.546079 -2.4975877 -4.736586 6.843234 4.170475 -5.932649 -8.401609 2.1809258 5.8871794 3.2414603 1.5518956 -0.38411385 11.249602 -1.3141363 -3.848274 -10.552532 3.1021705 -3.245078 -1.7350198 6.9390144

Diosphenol is a cyclic monoterpene ketone that is cyclohex-2-en-1-one substituted by a hydroxy group at position 2, a methyl group at position 3 and an isopropyl group at position 6. It has a role as a plant metabolite. It is a cyclic monoterpene ketone and an enol.

1.0495368 2.6601996 -3.1470215 -2.0562954 -3.3905506 -1.2254415 -1.8041508 -0.18300986 -0.0808157 1.0713916 2.2362387 -4.1300917 0.4999925 7.2539873 0.21639183 -0.79083943 2.6576445 -1.229837 -5.100028 2.2333748 -2.3764944 -2.8978057 -2.467515 -1.3104128 -1.9421858 -0.38929233 0.5093641 6.3806205 -0.6255429 -2.2840796 0.8645804 -0.54440224 -0.67625976 3.4498413 4.5653653 1.6254935 -0.18536195 0.26164803 -2.1787589 0.41999605 -0.8247876 0.61928755 2.1395338 -3.0653853 -1.4864957 -2.3332589 2.2638805 -0.81113297 0.5072109 3.0431268 3.479085 -0.7152418 0.438705 1.4673867 -0.03712754 1.4769367 0.0700978 -0.5438199 -0.7086994 -0.4354212 -0.3448681 -2.346357 -1.1002567 2.978612 -1.5058377 0.41160324 2.1645155 3.7156873 -0.5556474 0.30464086 0.065390885 1.7407051 -2.845385 -2.3390987 0.3903601 -2.7123742 -2.384834 4.963032 3.7921336 4.33905 -0.7715255 -0.74431294 0.17591989 3.333476 0.8399541 -2.153185 1.2415273 -2.1476972 6.772883 -4.226256 -0.852563 -1.1933784 -1.0533936 0.24183668 -1.7395655 3.6575403 0.21652265 2.1194997 -1.7051178 0.50306594 0.6635741 -5.635753 -4.4200807 0.22356544 2.9396245 0.105764635 -1.7147999 -1.559798 -1.9931645 0.82655 -2.169 -1.095314 -1.4473562 -1.7813601 2.6039505 -1.5960293 1.013077 -0.41039383 1.4803182 3.83886 0.2095096 0.8856649 -1.5022264 -0.31647053 1.8027124 -4.245474 4.367663 1.7374773 -0.87054193 2.9342418 3.908967 0.06334634 -5.2768507 -0.082201764 4.5438843 0.93063 1.7492796 2.441936 3.9799237 4.2708693 -2.5332153 -0.92980486 -3.365472 1.8336757 1.6687078 -2.8591073 -2.3408902 1.8943907 -2.3397703 -0.9576711 -0.6444971 -1.5633347 -7.408909 2.4114344 0.57853115 -2.6616209 2.5832262 1.8379807 -0.1127455 -3.3110054 -1.3554022 1.3225114 -2.3097682 -2.2904303 -1.0134947 -1.3874851 3.768552 1.9055748 -0.69547504 -2.3487618 -1.7999935 2.3098776 1.433848 0.16317344 -2.5103443 -2.2607691 0.47453177 3.5762746 -1.3276569 0.77381957 0.79187393 1.0135822 -2.8731008 -0.6733558 0.6420438 -1.4580219 -1.5262213 2.874935 0.12290579 1.4077371 1.5330812 2.8608632 1.8926601 -2.1367445 -0.37433243 -0.6886826 1.9302678 -0.8234686 0.6223262 1.2138574 0.855771 -1.9627265 0.98368114 3.2144887 0.24687108 1.4430507 1.1741934 -2.2619207 1.5500333 1.1878425 1.3134075 0.32389918 -0.50697225 0.028568327 0.5425188 1.1298344 0.5227927 0.4675688 -0.70065 0.3648632 0.5974329 -3.4309053 -1.1779149 0.74284804 -2.4114158 -1.7413687 1.2498279 -0.93915683 -1.096783 -0.4313227 1.8362033 1.5134768 1.7858391 -1.7174994 1.4679829 -0.24732795 0.06976812 -0.23763806 1.1662834 -2.7944908 -2.7089894 -1.2625732 -1.3683271 0.39288446 -0.60113513 -0.92959386 0.49409336 0.74965847 -0.41698903 -2.0315769 1.5547312 1.5755299 -0.107923314 1.5636402 -0.79030704 0.9617431 1.8384697 -0.8599017 0.9475223 0.28090388 -1.338175 -0.7699691 -3.2034552 0.7127586 -3.397525 0.6777129 1.3888059 0.31397444 0.4497173 1.2523044 0.54313827 -2.1234038 -1.5341576 3.7039137 1.9943054 -1.7468898 1.7652327 1.7795744 0.054911196 -2.9947374 -5.500535 -1.5500317 -1.4665042 2.5483124 2.380909 -3.101481 -2.8610842 0.67546195 3.6030252 1.5782937 -0.16671452 -0.092088774 4.768129 -1.9164257 -1.7199569 -5.7691984 0.72539884 -0.7172432 -1.0000381 2.704031

Gibberellin A14 aldehyde is a C20-gibberellin obtained by selective reduction of the 10beta-carboxy group of gibberellin A14. It is a C20-gibberellin and a gibberellin monocarboxylic acid. It derives from a gibberellin A14. It is a conjugate acid of a gibberellin A14 aldehyde(1-).

6.4388638 7.2240386 -0.6088628 -2.0179722 -5.496986 -4.7073555 -3.2447486 -1.6397914 0.87288725 7.66491 7.33441 -5.2733693 -2.0656438 9.496845 0.86101145 0.7618942 15.723838 -2.4548328 -9.132931 5.7362485 -2.9313502 -9.805943 -7.672163 0.086273685 -8.084518 1.1948714 1.0779119 12.48594 0.5109595 -3.5389283 1.5389822 1.4761432 -1.1535236 6.9248857 10.921492 -0.9754053 -0.7663179 5.0861173 -2.9069226 0.16708907 -6.9237165 2.914556 11.908196 -2.3984306 -2.490298 -1.5485182 1.230713 -1.3276267 -3.7914746 2.5903656 7.2673717 -3.6182532 3.5179334 1.5789281 2.4841614 10.324372 -1.6470726 8.097078 -1.14591 -0.4715702 6.962851 -5.8057117 -3.4186537 12.863835 -4.3192353 -1.837075 3.6860216 3.975988 3.8540678 -5.034842 -3.4785957 2.5653403 -7.6197724 -1.7745824 3.730725 -3.7842064 -2.097577 9.582681 4.2824316 5.330302 -4.627372 -2.8362353 -1.6399773 8.177345 2.9342673 -6.229431 2.378777 -4.2270823 8.874413 -2.8290718 3.7413104 -0.21737015 -4.4899883 3.4974422 -4.068684 3.4697115 0.83783656 1.2537581 -5.575242 -2.9171169 5.4600577 -8.513311 -8.058908 0.33362934 5.462707 5.5159907 -6.6404333 -6.3584046 -3.293139 8.041885 -6.493038 4.2787776 4.660203 -0.3706709 7.0410542 -6.8037043 -1.2004354 -1.3476101 7.1354623 6.5215592 1.4620756 3.1783714 -3.726976 -3.1816802 7.7962537 -9.603174 7.786435 2.3879187 -3.9005432 6.275656 -0.37244064 1.3773776 -10.933353 2.6828303 10.446437 3.1030703 4.286636 1.9913335 10.472813 7.117173 -3.9602633 -1.0150726 1.6645011 4.6489472 2.5337446 -6.0580726 -7.1899424 6.820813 -5.048018 -0.63518584 -4.66002 0.7385408 -6.2549596 2.8968036 6.343109 -0.7514826 5.524896 4.737658 6.240623 -4.210831 -6.5567045 2.3163292 -3.5802338 -2.0286822 -10.303712 -1.1666889 11.168455 2.6056468 -5.0659676 -4.7870855 -1.6410637 4.93822 2.6612773 -1.2370474 -2.6301243 -2.8514063 0.88066345 5.4753184 -0.9889462 3.531026 -3.379362 2.997824 -6.2077622 0.7019231 5.0763197 -0.75749975 -5.3692884 -0.5742703 3.9157467 0.93044496 8.956314 4.969369 4.764116 -6.0943384 2.067029 2.5829985 8.047705 -0.7875163 3.185994 3.6341505 2.121808 2.4176624 4.53626 7.8398447 3.3447845 2.0890825 4.8331323 0.1982227 3.9774532 6.262251 1.5033922 0.5776538 -4.615659 -7.179803 4.348245 0.9095161 -0.039656803 -4.945665 2.3822906 2.604953 4.213493 -2.4097335 -4.1621237 1.1599768 -1.1965225 -6.574387 -3.9589238 1.2161922 -0.7956332 6.463132 -0.58923316 0.27390516 3.0942976 -2.1653538 1.2277819 4.224871 2.787041 -0.62114894 -3.4692144 -9.177379 -4.0302157 -0.90170085 -5.1304526 1.5296695 -5.1050305 -3.2341466 -1.8893232 5.060742 -3.315581 -4.295471 2.6318688 1.404842 -3.3498185 3.2748492 1.9508162 8.1820345 6.1697645 -5.3855076 1.5027689 0.35475698 -7.861638 -0.5392126 -4.1123695 -2.3969831 -5.5625024 -4.333903 4.4962344 -0.9352695 5.579424 -2.9135973 -1.9698969 0.38408536 -2.7244585 7.6157823 5.1223183 0.13942555 -2.2794707 1.7007155 -2.4200978 -4.662635 -10.956429 -3.2733924 -1.7795846 -0.03622663 -1.6860993 -6.0125604 -9.902333 -1.6068965 8.018828 2.811403 4.383472 -4.750739 12.989768 4.683674 -3.4749012 -11.193892 1.904245 -4.4865212 3.1361578 7.262164

Alpha-KDN-(2->3)-beta-D-Galp-(1->3)-alpha-D-GalpNAc-(1->3)-{[8)-alpha-KDN-(2->]n->6}-D-GalpNAc (n = 1--9) is a branched oligosacharide consisting of a tetrasaccharide chain of deamino-alpha-neuraminyl (KDN), beta-D-galactosyl, N-acetyl-alpha-D-galactosaminyl and N-acetyl-D-galactosamine residues linked sequentially (2->3), (1->3) and (1->3), to the reducing-end N-acetyl-D-galactosamine residue of which is also linked (2->6) a single KDN or a (2->8)-linked chain of KDN residues, the number of KDN residues in the chain ranging between 1 and 9, with an average of 3. The diagram shows the structure with 3 KDN residues in the side-chain.

-6.4976954 31.992315 12.069913 -10.65016 -15.684679 -62.50254 3.2922237 -4.3064866 26.799435 11.745198 8.300583 -17.53866 -25.457525 15.15379 8.696282 2.9202185 19.50072 -19.890198 -72.68854 39.84207 -20.728186 -58.599625 -35.92131 -18.935656 -22.769936 12.282282 16.178383 25.550573 4.4602695 -24.206114 12.042053 -20.526154 2.2963953 32.01539 47.95512 9.1997595 -17.485062 32.29219 -2.2457347 3.6423688 -36.916805 18.629263 7.310607 -2.0128832 -13.609013 0.8495678 -3.2602656 24.175432 -18.818611 56.848316 30.316338 -6.5207715 26.804379 11.347523 35.133488 10.225135 -2.6201663 43.178276 -9.326752 -9.291496 23.247707 -28.11995 9.257445 36.54088 -23.399006 -6.666948 26.200417 12.01195 0.32686496 -22.059069 1.9191934 16.839314 -35.988106 6.481514 1.9548264 -13.444014 -41.660275 34.36281 4.921648 14.324107 -32.616795 -27.472984 -12.738325 13.47517 21.980646 -17.565645 25.795073 11.178461 33.49637 -3.0558543 1.2393203 -7.0108943 -2.6686401 15.981055 -5.062499 9.918058 25.383924 4.9461255 -13.221581 -14.948882 33.643223 -7.061436 -44.11715 -14.2793 25.748096 5.7758226 -16.576633 12.146655 1.332141 22.685999 -22.063663 6.527504 4.5643706 -4.880156 47.770695 -28.451136 -17.9695 21.228367 33.248833 23.209337 18.76736 12.403789 -38.152557 -12.256287 26.048035 -50.646385 41.739037 40.042084 -36.171677 24.29604 -0.4871016 23.710497 -53.422916 45.65057 69.94614 2.9476235 8.846641 -7.1368623 65.099045 37.037834 -22.060015 -3.5920875 7.6459727 19.48799 63.07275 -40.2068 -24.645998 47.37084 -27.602531 4.282392 11.306099 20.385578 -39.915905 13.009214 14.160461 17.218313 60.539852 35.292847 55.984554 -17.054266 -53.68691 -5.442332 -29.263454 -3.4250095 7.81883 -11.1844425 83.80966 17.949718 -36.739277 3.0947819 20.78471 31.667454 29.901937 -11.399039 -14.883256 6.221615 59.399307 51.317543 -16.755285 -8.592649 -27.719238 -3.9505007 -37.98757 15.149749 9.802537 -0.57044214 4.6559086 -13.71226 18.772768 1.3379642 28.720032 22.895922 14.3493595 8.101581 7.804707 25.025154 22.647915 7.9166727 11.626692 1.8676243 1.0034028 7.0889697 20.265587 37.462605 20.446491 -5.0402894 4.2383375 -6.1216455 4.82553 22.85234 19.72873 -5.0209775 -21.78031 -5.445832 -3.741868 22.15387 -14.791387 -5.258568 23.96655 -12.319338 0.0364025 2.666429 -8.546104 37.736782 -30.440895 -23.94446 -26.584522 23.92152 1.6860893 22.40862 7.097039 11.802779 3.7902727 0.9014816 4.051134 -4.562686 26.810015 4.539816 -47.863537 -31.93738 -3.7329273 -1.5958903 -6.752125 -5.1452947 29.929459 -1.6686683 -3.669909 -15.952965 -15.476081 -3.1324248 21.767597 11.846691 -18.23137 21.475607 15.759929 18.421452 7.3277802 -36.48393 -15.223841 12.538216 -21.64465 -23.042532 9.667893 1.0875068 5.8252378 -10.552014 24.667402 11.726129 33.884148 -16.341164 6.971782 7.597623 -9.29857 5.587444 48.685165 45.084023 -8.671505 -19.958376 13.476489 16.589787 -3.7031856 0.37270117 7.8468366 4.328393 32.27019 -24.688831 -22.741999 -5.1884685 35.937813 6.47691 25.352968 -33.13444 63.95628 -14.567715 2.1220691 -58.826805 -10.934916 -16.370533 31.008263 20.391325

Moxifloxacinium(1+) is an organic cation obtained by protonation of moxifloxacin. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a moxifloxacin.

3.2237673 5.5965753 -5.326283 -0.91607577 -2.076713 -5.7095785 -9.745945 1.9000456 0.85142225 0.85426825 5.829302 -9.14454 -4.552476 14.009055 -0.2844412 2.2316594 10.699196 1.6165525 -10.645334 10.235631 -7.4864197 -2.1059747 -4.641765 -7.3420033 -3.930531 -1.1268252 -0.14583331 9.938901 -1.7177476 -1.9425193 3.0548642 1.5687065 4.712569 7.660693 6.0471272 1.4969449 3.5075672 3.0879703 -1.4924315 -2.4384406 -3.7158399 4.048076 3.3014586 -2.896629 -0.19084485 -1.4674417 5.6731706 -5.12812 1.3536181 1.5842583 6.11951 -2.1187713 2.5248382 3.3361883 -2.6822057 1.615506 -1.1045032 -2.3403378 -6.36785 -3.122709 2.4597132 -2.6433706 -1.4200343 6.812099 -3.1132526 -1.110112 0.2862637 5.2772617 1.1354105 1.072597 -0.21197967 2.518212 -2.6171083 -2.8974361 -0.81528 -5.3402414 -3.5384784 12.205049 12.432548 8.263691 -2.9454808 -7.690164 -0.116576046 7.9092607 3.557506 -6.4431114 1.6913745 -1.0663135 14.915544 -7.5724397 -2.6356997 -5.530028 -1.0795625 1.5305282 -3.4252334 6.1578145 -2.0515041 -3.936269 -4.7294946 1.762066 0.9857945 -9.276007 -9.623648 -1.8583074 7.7277436 2.2298532 -0.90214604 -3.7576709 -4.9501386 7.5836325 -2.3730328 -0.11490908 -0.079021215 -0.18658954 10.639692 -9.112609 0.25755933 2.7086093 6.786891 7.540731 4.3297925 -1.9425085 -8.236534 -1.8160734 8.252108 -8.242678 13.32232 5.655606 -2.7917013 6.1700006 6.455399 0.8701756 -15.853409 7.872496 16.198313 3.666747 5.47669 -0.19210264 4.98899 10.389158 -2.3901246 -2.8502064 0.70914906 7.0247054 7.6879168 -4.777851 -6.2692924 9.787146 -4.122019 2.4024684 3.5614927 -0.7012657 -9.674365 1.3293346 -1.7413728 -1.004868 9.87298 2.9868762 4.113909 -7.055354 -7.793828 -3.0651572 -11.830373 -2.5189123 0.18041816 -11.097288 14.597597 4.9427924 -3.9881785 -4.402315 -3.0301871 -1.6441878 10.739747 -3.5745735 3.588249 -1.7873658 0.97777873 5.736544 -2.6796257 4.642459 5.968734 0.41552007 -4.195778 -2.1486726 7.9631805 -4.993363 -3.2684503 1.7622058 1.039031 2.513706 10.523379 0.062647164 2.9489334 -3.5745034 -5.6297626 1.3776027 1.2748299 -3.893485 -1.0872902 2.1903603 5.286319 -3.343919 1.5293177 3.675413 1.178288 5.7746696 2.2487006 -3.4274504 3.0316098 6.014551 0.49178723 4.026278 0.8133858 3.9267886 8.987205 3.2840142 -0.07847692 -2.6929605 -6.5984807 -1.60944 6.2696123 -9.620779 -7.351532 -5.1526484 -6.5925016 -4.847451 1.7982843 -4.3161764 -0.022725865 -1.2676481 -1.5181732 5.7352414 2.5464509 -0.89672893 -1.1778442 2.81916 0.3176097 4.3918695 1.2500589 -1.6396662 0.66750807 -11.668675 -8.517649 3.15307 -2.502442 -2.3216326 6.562154 5.0997534 -6.8414083 -0.66849166 6.927841 6.0896454 7.6595993 0.9007293 -7.078509 3.399025 6.2111526 -11.598891 3.3870227 -6.1920023 -6.043549 -1.6766497 -7.285702 3.4045992 -11.467724 -3.605536 -1.5668048 -1.3473952 3.8581343 5.234489 4.034444 -2.0976539 0.16410992 8.768238 12.826459 -5.238445 0.41010642 -2.3297477 -5.5955215 -5.4319854 -10.561487 -5.99141 -6.8560925 3.8405879 2.5801685 -7.918825 -2.4010177 -2.756894 4.5479593 0.28274143 2.229401 -3.8848398 13.74584 -5.262303 1.0245217 -10.561781 0.8695668 -1.2368878 0.9313283 7.1213174

26-hydroxycholesterol is an oxysterol that is cholesterol substituted at position 26 by a hydroxy group. It has a role as a human metabolite and an EC 3.1.1.1 (carboxylesterase) inhibitor. It is a 26-hydroxy steroid, an oxysterol and a 3beta-hydroxy-Delta(5)-steroid. It derives from a cholesterol.

6.2188134 5.340049 -1.4468179 -5.4610734 -4.2873025 -8.215116 -6.4241333 -0.10106373 0.899508 10.05374 6.493673 -8.93461 -1.8369017 11.155339 2.2126272 1.0723367 7.8073387 -3.648384 -9.756248 6.9809546 -10.238899 -9.015962 -10.617891 -3.8670135 -10.376072 4.0489492 1.6553108 17.647467 -2.022175 -7.152382 1.8585681 1.7747965 -3.2529478 6.5718155 13.144233 1.0611963 -3.554631 5.505001 -7.8377666 1.6282086 -5.093096 -0.21488342 11.233102 -0.44929445 -2.7869391 -4.1406364 3.5426376 -0.52950716 -2.2238955 8.286894 6.2161484 -3.8482652 6.7129 -1.6565543 3.634311 4.9081135 2.7036138 7.2177505 -0.8421373 -1.0442076 5.8877287 -10.472341 -1.8661155 12.804619 -3.5994434 -2.0273778 3.1008945 4.258309 2.1341665 -3.9661176 -5.275147 3.3298352 -6.44618 -0.59224707 3.6789298 -6.202453 -2.8345485 10.760754 4.0037622 4.6650424 -4.7377787 -0.86176944 -0.7558425 9.030751 4.1335154 -8.129287 7.0718575 -3.77142 16.39788 -5.822731 4.234541 -1.9454863 -2.8456936 1.7021995 -1.9805083 6.6128626 -2.6890604 2.0944707 -4.523855 0.3181581 1.364327 -7.8434734 -9.675755 0.32325748 4.515913 4.6714687 -8.956972 -5.494395 -5.775176 8.782054 -10.038027 1.9435942 3.1052213 -0.26587373 6.7939873 -6.700164 -1.5157776 0.59559107 6.8661 9.913415 5.988332 4.7709236 -5.0941176 -1.4852432 7.1715574 -12.696781 11.079793 7.270229 -6.2675586 8.441018 7.071169 1.0909917 -10.52797 2.4001164 9.019457 1.7414082 5.43009 4.78398 11.691787 6.2495694 -8.819149 1.7916281 1.7663604 6.187478 2.4142003 -8.777237 -6.4985023 6.8090143 -6.653603 1.7654276 -3.4684544 -3.7846406 -7.916921 4.238682 5.0057783 -3.008753 6.829965 6.661586 8.541818 -2.974257 -7.8757415 1.9817206 -7.548101 -6.556825 -10.940567 -2.2291448 9.0178175 2.1145475 -4.8731484 -1.4438207 -0.75873744 5.9973717 0.35331354 2.0985124 -3.7037296 -3.979664 2.4728699 11.48961 -5.7498846 -1.5483562 -2.5191705 7.255925 -7.486328 -0.097809955 7.495717 1.3417317 -0.41409692 0.1833025 4.3593607 5.999445 7.8376455 9.819781 4.424795 -7.123464 2.032476 2.679692 6.881646 1.6584091 3.5861306 4.0827665 4.1445665 -0.19491409 8.652381 9.096042 5.508246 4.636509 2.642617 -1.3277977 2.0359962 5.9076076 -0.05094977 -2.8838134 -6.572461 -6.994329 0.18954119 3.8744674 0.9140657 -3.4353828 0.37514177 -1.0324634 4.6833625 -5.8755 -4.442658 1.8832904 -2.1016316 -7.7339377 -5.7387447 1.9902624 -1.4431095 8.283485 -0.25265852 -1.394529 4.4290476 -2.2346833 4.1703258 2.6000035 5.9615045 1.2350068 -0.72140384 -8.706491 -6.910715 -1.7211281 -2.2403886 1.1486825 -3.4460158 1.5126039 -1.7870771 4.00898 -2.760897 -4.906394 4.159422 1.8801539 -1.6738741 4.132265 0.27034247 6.5856214 6.5696974 -5.1967483 -0.04042097 3.7867203 -6.6237555 1.7662349 -4.9513335 0.10912101 -3.797344 -3.0978262 3.3413606 -3.0118642 6.644002 -1.9614415 -2.4594777 -2.8905685 -5.408537 6.4762154 9.677136 -0.4197494 -1.1802683 -2.4926014 -0.3894421 -7.6602726 -10.439386 -2.6864307 0.37716186 1.26727 3.727887 -8.371973 -12.627128 -1.7216603 11.349382 5.2813134 3.8220863 -0.25331995 13.733256 -1.8927093 -4.577365 -13.940095 1.0590463 -3.0338 2.4982111 5.549163

L-ribulose 5-phosphate(2-) is a doubly-charged organophosphate oxoanion arising from deprotonation of the phosphate OH groups of L-ribulose 5-phosphate; major species at pH 7.3. It has a role as a fundamental metabolite. It is a conjugate base of a L-ribulose 5-phosphate.

2.2353292 7.0701747 2.8261752 -2.5936089 -1.8650502 -7.63718 -1.6661363 3.065057 0.23486039 2.7459905 5.425591 -4.2210393 -1.3684028 0.6020738 -0.51881826 -1.7538549 -0.26793784 -0.020177335 -7.495784 2.965362 -5.558282 -5.8236165 -3.9719682 -3.6235924 -4.7166004 1.9069146 1.1472385 3.503485 -2.8978047 -4.419988 -1.2943723 -2.81922 -0.83438325 2.9501483 4.711909 4.308811 -0.68103814 4.516941 -2.3391252 2.703301 -4.07406 -0.35375193 -1.0721993 -2.7288277 -3.1080546 2.8082511 1.9325445 0.9493855 -2.5893831 1.5375844 6.3789797 -0.011596242 2.6651752 2.0837553 4.5145345 -0.99468535 1.0008062 0.44612065 -2.9673564 -2.4390125 0.7513413 -4.1152215 2.6078715 4.0119715 -0.17174354 0.89135396 3.2073371 -0.028112799 1.0060453 0.45906162 1.0921867 4.1371756 -3.573876 0.7474153 -1.9411304 -0.3181196 -4.2891116 1.4297764 0.5829818 1.8651813 -2.414225 -4.202785 -0.80069846 0.103180245 0.7681096 -2.6662169 4.886814 3.9108548 5.3054914 0.12889728 -0.540184 -1.3784394 1.002564 0.26955035 -1.0778482 3.658605 3.8977094 -0.31776643 -0.07947033 0.70975196 4.368714 1.7007335 -3.9135017 -3.5285168 -2.1683 -3.2526755 -2.4287324 1.2813987 1.6193148 3.2591808 -2.745341 -3.5291247 -2.1613457 0.21195455 5.0025697 0.20061225 -2.337943 -0.2512801 2.8945897 2.2901852 4.1301923 0.83560586 -7.9181423 0.029405117 1.3450972 -3.8160682 5.271773 6.71209 -0.47169214 2.9832673 3.1267102 1.7299583 -4.6241627 3.3853931 5.8753066 0.044441186 2.4739215 -0.07690665 8.203346 0.828724 -1.2306567 -0.7059494 -0.8174996 3.76007 6.695133 -7.1585684 -0.08652088 5.4515157 -1.7175517 1.2892792 2.2957697 1.6513829 -6.0924892 -1.262846 1.5724783 2.4445024 5.200985 5.2200847 4.955764 -0.92004204 -4.2242184 1.7666911 -2.9932942 -3.2606838 1.4283048 -2.3240352 6.3649526 0.29629275 -4.6117616 1.9687325 1.5758274 5.1284356 2.6389542 -2.447418 -2.5373778 -0.84209037 7.698088 5.5552015 0.95087504 -4.6110334 -1.5236444 -0.007824823 -4.5332127 0.69465286 1.1004457 -0.41918677 1.2014829 0.114204615 2.8078425 1.7158111 1.818182 6.162597 1.2961198 -0.94700867 -1.3826559 1.4092993 3.3643458 0.9242078 -2.7937665 -1.074736 -3.8603034 -0.0626507 3.8383343 3.7975426 3.251354 0.59079325 -0.024904609 1.6546072 3.475298 3.5830288 1.9986639 -1.482077 -0.9047088 -0.1456725 -1.1026027 0.9223182 -1.7410381 1.4327266 6.234738 -0.37410784 -1.997514 0.23487446 -1.1876614 3.110006 -5.017199 -2.2515843 -1.3324871 1.6595649 -2.9120476 1.5500865 0.27044958 3.1837456 -1.8673172 0.033668377 1.8962278 -2.764218 3.5002341 -2.1037471 -2.2760565 -2.140982 1.0665954 0.061504714 0.44600263 -2.33395 5.96548 -0.050402135 -2.3091552 0.5422082 0.37350985 1.4416915 3.6306994 0.7878038 0.294162 1.3076427 0.32531893 -0.55800927 0.8670805 -3.70737 -0.62141573 1.1137944 1.448337 -2.8639476 1.1463385 -1.4892374 2.1816397 -0.2811748 1.1811929 -0.43923742 3.0753431 -4.4394827 0.88182825 1.7889019 0.22018504 -1.853765 6.904156 5.926045 -0.14977254 -6.14521 0.41530445 1.5554239 1.2793694 -1.0383881 -2.3010886 -0.11789979 5.10185 -2.474078 -0.66203356 -0.3376875 3.1214757 1.02119 4.7716203 -0.126628 4.5319123 -4.2007184 0.44750112 -3.978839 -2.9207075 1.9651016 3.9293795 3.5790424

2,3-dihydro-4',4'''-di-O-methylamentoflavone is a biflavonoid that is 2,3-dihydroamentoflavone in which the hydroxy groups at positions 4' and 4'' have been replac ed by methoxy groups. It has been isolated from the leaves of Podocarpus macrophyllus var macrophyllus. It has a role as a plant metabolite. It is a biflavonoid, a hydroxyflavone, a hydroxyflavanone, a methoxyflavanone and a methoxyflavone. It derives from an amentoflavone.

-4.3407593 7.478964 -4.469922 -3.9402144 0.68196833 -14.991859 -11.148401 3.0879216 -1.9221238 2.1872315 14.208524 -15.248154 1.6316515 23.580734 12.325813 -0.9289936 10.090081 2.2293859 -21.6383 10.585204 -6.092882 -9.773495 1.2511505 -10.55287 2.1404984 -0.23107886 -2.3704205 17.018862 -5.14652 -4.045429 0.5400122 -1.9713185 9.091224 8.811526 1.1217902 7.237956 1.4879981 3.445939 1.0286074 -5.733318 -2.4193885 4.937698 -0.5319347 -13.223716 4.990349 -8.666775 16.591818 -9.958778 3.9561608 11.766287 12.250987 -1.528902 6.6723657 7.5553775 -2.9578795 4.681746 -12.359642 -8.519631 -7.2790914 -2.6410916 -5.543518 -3.840247 -6.775685 4.1845274 -0.4331712 -3.7204847 2.7959902 5.188752 -2.2873178 8.611445 6.5105457 -1.5971818 0.064311564 1.9951127 -3.184808 -7.644929 -14.575559 21.08057 15.884019 14.707248 1.8708308 -9.23567 1.1821339 -0.61851436 1.4944297 -3.1141567 -2.1875308 -8.415752 19.494242 -7.9460936 -3.1822357 -12.46825 -1.3510735 -0.40178978 4.0789733 3.4791567 3.0986297 1.3133528 -7.9784765 -0.06713359 -1.395078 -15.6665945 -14.487632 -4.3228087 11.022035 4.912474 -1.261258 -10.376572 4.42391 -0.5300506 -8.597091 -4.853261 -5.6185822 -1.8453654 15.773303 -8.045104 2.7502306 -4.02718 5.7370415 12.151227 8.622649 0.42630783 -9.261039 -4.4314146 17.034472 -14.037321 10.519146 10.318451 -9.102199 4.738494 5.421755 2.913317 -15.611593 0.66005003 20.528336 11.686193 -3.3816853 -5.805952 5.0242386 16.202118 -6.4523635 -4.0433254 -3.608761 9.579734 18.472336 -11.665653 -3.4940042 0.6033945 -12.829345 2.4641519 17.013977 -6.8360577 -27.305143 6.0202885 -6.724798 4.030242 11.528302 1.0506071 -1.9053615 -16.047083 -5.9428816 1.648144 -3.5582244 -6.170312 16.903114 -6.5760493 20.325962 9.670427 -5.985743 -10.381916 -0.89129937 4.1258483 11.716854 -4.67819 3.5283303 -3.8216162 7.320739 1.809794 -6.9688883 8.006236 8.820345 -3.079482 -16.711319 -7.3617086 6.464081 -4.107601 -11.768682 6.424714 0.48357326 2.8069012 6.9333854 -3.5697787 2.1041992 0.63658464 -13.6494465 -2.4673662 8.195505 -5.319875 -2.8004813 -2.2475295 4.6080575 -16.688095 4.16729 6.375686 0.15787728 1.1588597 -3.5614307 -4.3265953 9.933014 3.5887485 -3.429685 12.658834 1.2243962 -2.1754515 7.426846 3.3118978 -0.9615262 9.487032 -2.1617074 -6.5584064 6.232676 -18.096405 -10.622662 -3.659289 -11.222423 -3.8629348 13.653729 -6.691881 3.684581 -9.484312 8.770807 17.77675 7.1280127 -5.174426 -7.6308107 -0.89148796 -5.0142345 1.9741449 0.46730053 -6.7018023 0.28378144 -13.330493 -11.950261 -0.43986696 2.5648596 -4.8030887 7.32774 -0.72438747 -5.05727 1.3541461 2.743485 13.182033 8.394984 1.1801299 -7.5521674 -1.1117241 6.4246874 -11.164036 1.4970667 -12.019141 -1.8351741 -10.21504 -10.993495 8.284357 -15.308456 0.0065828264 -2.008225 1.1713631 1.3348213 9.985563 7.444838 -6.710046 0.11923618 19.803339 18.76462 -4.92185 9.29884 9.900872 4.755184 -1.5867417 -20.603193 -14.234263 -11.733127 14.885143 11.719462 -10.375558 5.654913 -1.0653045 16.214758 2.659686 -0.4811958 1.3242847 15.432737 -4.162673 4.819266 -8.883463 4.9388776 -5.3535504 3.7326386 11.037677

9-(methylsulfinyl)nonamide is a monocarboxylic acid amide that is nonanamide acid in which one of the methyl hydrogens at position 9 has been replaced by a methylsulfinyl group. It has a role as a plant metabolite. It is a monocarboxylic acid amide and a sulfoxide. It derives from a nonanoic acid.

-0.6675519 1.2328694 -0.7659707 -1.9296707 2.5707498 -2.9647262 -1.5697498 3.0548255 -3.219134 3.077197 2.2143629 -6.247887 0.51258326 -1.1013792 -1.1653754 -3.6036901 -0.24241745 0.87578636 -6.529942 0.021289399 -3.7466533 -0.9010244 -1.0261573 -6.4715424 -0.8065038 5.160737 -0.620209 3.6898658 -3.8594766 -3.5733843 -1.0181637 -2.1791666 0.38858908 5.1488724 3.0951588 1.0304377 -5.158523 7.1920843 0.9704278 4.1986885 -1.2163326 -4.4317966 -2.2221463 -0.323156 -7.472843 -1.1454133 -1.7965869 2.0417573 -1.4849976 3.6731336 2.2687414 1.7559433 3.4165535 3.906127 2.8668811 -2.2118535 0.96363264 -1.0919586 -0.7007285 -3.080841 -0.33193797 -4.2366295 1.4255674 4.3404675 0.8717881 0.9872069 0.07849353 0.7683517 0.70009565 0.036739722 1.2762048 0.268726 -4.3905897 1.8701463 -1.559846 -1.5231934 -1.0566378 0.9264431 1.8755513 2.3374398 -2.3781204 -1.6945908 -2.1324015 5.2064443 1.8255203 0.36373067 1.5005985 2.753924 4.3502674 -1.3010921 -0.721122 3.796414 1.1887243 0.52342343 -1.740465 -1.4924494 2.129378 -1.365063 2.0800948 4.055645 3.154151 2.351562 -2.4917014 0.77422416 -3.5508358 1.9726336 2.8281565 0.36514235 2.549247 4.889045 -3.3001227 4.004154 -4.4782467 -0.8849191 -0.4050098 0.039497316 1.146865 0.046685517 2.802863 4.8782034 5.761595 0.98550636 -4.131865 -1.4914695 1.5768385 -6.71476 5.169736 3.9367957 1.3871087 3.7329912 6.432415 -4.8684025 -0.7196847 2.8711653 2.5062063 -1.8708566 2.166114 1.5152586 7.0538616 0.03556032 -3.9730353 -0.2636917 2.3571534 3.963698 6.7272906 -5.221656 -3.0371015 5.84907 -6.2046123 0.07154299 1.3009741 -0.84995097 -3.3814256 0.9062082 -2.8020387 1.1152668 3.040504 5.023931 7.811066 -0.39964554 -4.786335 1.5305303 -2.9326525 -3.7632484 4.8287005 -0.112446204 3.0475078 5.1482205 -1.9670875 2.2828054 0.8741412 4.1232195 0.14262109 0.107549265 0.8845549 -2.0355926 7.5428705 2.6119862 -5.4839516 -7.006718 1.2667192 1.5707147 -1.8217015 -1.4542068 4.871351 2.4232078 -3.3191106 -0.1974836 4.909634 4.618177 5.409341 6.9052925 -0.809225 -1.3366076 -2.8962965 1.3533123 0.005384013 4.3183355 3.6584668 -0.14036173 -5.444161 -1.8074694 2.1257553 2.4822183 -0.6175878 -4.521512 -0.25198582 0.44355923 0.9742603 1.3885531 -2.9285069 1.8134398 2.517877 -3.9114091 1.9565451 0.63636184 -4.010718 -0.09981112 4.134865 -1.8414981 -1.4940728 1.7965732 -3.3675423 2.2504876 -9.792874 0.08037299 -1.8743502 -2.2209854 -4.352943 4.2265205 -1.2703688 2.404841 -4.113269 -3.2576463 1.0467064 2.9349892 6.5359497 -0.8249098 -0.6228125 0.20998302 0.6071206 -0.7270695 1.407225 -1.7363302 -0.51971304 0.3941779 3.321886 -1.4183799 -1.4931531 3.9377098 2.7398303 0.13448448 -1.8264499 3.2136536 0.09021722 1.4627203 4.1355286 -5.7059517 -2.9666653 -3.6324096 1.1929144 -4.089244 -0.6970983 -2.03047 3.413166 -0.04165608 1.8485503 -0.8506349 4.4741864 -1.0519115 -4.0178103 -0.77378905 3.1387954 2.760235 0.1415168 3.8633366 -1.6652124 -0.7741822 3.650619 -3.1806588 -3.6994662 -2.1343832 -2.8299994 -2.4361236 5.4300575 1.0025777 1.3521404 0.17677335 3.3951733 1.0345728 6.3640556 0.12859671 2.0511978 -0.078643255 1.6229101 -3.3481555 3.2397096 1.332626 2.328055 2.8576596

(4S)-2,3-dehydroleucopelargonidin(1-) is an organic anion that is the conjugate base of (4S)-2,3-dehydroleucopelargonidin, obtained by deprotonation of the 3-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a (4S)-2,3-dehydroleucopelargonidin.

-2.4255168 3.5227427 -1.8019357 -3.0461946 0.90204155 -9.754997 -4.568058 2.2905526 -1.2078745 1.5914468 5.2370143 -7.4823465 0.5550279 9.372086 6.66054 -0.49253392 3.329832 0.19900474 -10.961342 3.7517462 -3.0799837 -7.3499446 0.6160097 -5.8346415 1.725647 0.5020759 -1.0693452 6.725077 -1.9425908 -2.7749627 -0.72235006 -2.2194767 4.7414556 3.7664843 0.7898119 3.7571044 -0.31122017 1.9650024 0.06779639 -1.4241064 -3.1057377 0.85529244 1.0140612 -5.8837547 1.8668089 -1.9223808 7.219413 -2.819677 0.4570708 6.7320056 5.7678876 -0.26074317 3.9679644 3.5855536 -0.79679304 2.3373044 -7.702847 -3.48194 -2.5798354 -0.51271397 -2.1170888 -2.9092503 -2.7373083 -0.19540557 0.04941991 -0.6718718 1.9641917 2.5377645 -4.0443926 3.6124206 3.515751 -0.57973075 0.012862492 0.4976655 -2.2004828 -5.2495465 -6.19366 9.4451475 8.004405 5.613268 2.4083114 -4.989992 -0.08127552 -0.9696003 0.69309115 -1.7247992 1.0185609 -2.7572386 9.0513 -3.6310391 -0.67945 -6.4581594 -1.3572248 -1.410743 1.0409374 1.2484565 1.8530837 1.425976 -6.315271 0.22585009 0.8135853 -7.4645886 -8.394557 -2.1641002 6.8598742 1.169938 -0.6669126 -2.3098934 2.6269772 -1.6515349 -4.256754 -1.5563905 -1.0618072 -1.9241434 8.625986 -4.4155617 1.7802279 -2.299284 3.1358476 7.541441 3.6114528 -0.23138419 -5.6479173 -2.4967873 8.138439 -6.8130355 4.0378213 6.421298 -3.769026 1.4564441 2.1449783 1.2457012 -7.694012 -0.804577 10.19999 6.605991 -0.66768074 -4.805845 3.9319022 6.5484524 -2.363959 -0.80341595 -2.075287 3.8732243 10.887844 -6.1907268 -2.258389 1.7033875 -6.759259 0.62115246 9.377289 -3.806652 -14.212015 2.4308283 -3.6262853 1.9178156 6.8936315 0.3119087 -1.1951419 -7.244005 -2.027951 0.29691505 -0.6848655 -2.6412845 7.9783306 -2.5169013 12.123476 3.613727 -2.776423 -5.6705375 -0.55434644 2.6071744 7.3797216 -3.2480645 1.3944927 -2.004881 4.710774 1.2851701 -2.9853647 4.0413394 2.8108022 -1.8484584 -9.981466 -4.3188424 2.3377693 -1.9819126 -5.8903065 2.3512526 -0.20252672 1.6538041 5.0082297 -0.63180274 0.16665281 1.8011632 -7.314574 -1.086856 5.433852 -2.5131028 -1.4134736 -1.178024 1.6431029 -9.99156 2.0944884 3.5970635 0.24572566 -1.1710362 -0.7385726 -2.6700668 5.446301 2.4384778 -0.59271896 6.87806 0.5958194 -1.6493332 3.7176502 1.1721938 -0.86479145 3.628841 -0.27582526 -4.0266876 2.1152215 -8.987906 -5.2732954 -1.1023211 -5.74833 -1.9410778 5.6771927 -4.4801545 1.7403809 -4.4521985 4.2657647 8.040197 4.92924 -1.0499496 -3.7415836 -1.2435963 -2.8721988 1.4561099 0.07725516 -3.8486266 -0.24704704 -6.073481 -5.983001 1.4064739 1.9875331 -2.7190955 3.0509968 -0.4975552 -2.3331747 0.9090779 1.6501133 6.9039087 1.5256608 2.9331136 -2.6291604 -0.19666363 3.446438 -5.025343 -0.46037364 -6.1805606 -0.4485176 -5.375221 -4.6757283 3.3361971 -7.999463 -0.90795976 -0.064481735 1.5553045 0.62668097 4.6591783 3.312799 -2.455414 -0.3391238 10.90769 8.995256 -1.3032838 4.486331 5.676765 1.9745811 -0.27744052 -8.099676 -6.889605 -3.4268608 7.171818 5.95359 -5.8370237 2.0615585 -0.5145996 7.626385 2.740741 0.36076164 0.64003295 7.2606306 -1.9756134 2.8775907 -5.6886616 4.19017 -2.5094304 3.225822 4.258832

Diethyl fumarate is a dieter obtained by the formal condensation of fumaric acid with ethanol. It has a role as a metabolite. It derives from a fumaric acid.

3.5946102 3.7809944 1.0605645 -3.3189945 -1.5686111 -3.747006 -3.2877626 0.765942 -2.2770803 2.859824 7.129779 -2.9567308 3.6487515 -0.18160978 -0.16198394 -2.2346716 2.2868853 0.23255344 -5.1692705 2.4863071 -0.6160386 -1.574094 0.25707904 -3.617625 -3.4520526 -1.3403304 1.8436277 4.7148304 -2.7325406 -3.676383 -0.30068117 -2.0654476 -2.2880545 2.343971 4.517092 1.3186988 0.7482549 3.1751294 1.8920655 1.979332 -0.41033515 2.2362986 -0.7853564 -3.0003304 -1.3180071 -0.8395287 -0.99092036 0.045504354 -0.8265958 1.8584837 4.294397 0.61401206 -0.935897 2.3272157 1.5680195 -1.2362045 -0.16320348 -0.33430663 -0.57714653 0.074445225 -0.9530089 -1.5644234 -0.30795026 4.6370378 -0.5252464 2.6608455 1.701091 -0.4541603 3.6202931 0.09182732 0.8812903 -0.011740144 -3.8568313 0.96376675 -2.0681324 -0.24495667 -5.0507846 4.003335 1.2063708 3.2249105 -3.0849223 -0.9727854 -0.8983363 3.2114425 1.2721492 -0.86236775 -2.2675424 0.9419222 5.071778 -1.8659096 -0.10429502 1.0531536 0.8310154 2.5820851 0.10364205 -0.32176352 2.6346946 -1.3902957 0.57746786 0.61410505 1.566926 -0.7474006 -1.539952 -0.7589307 -3.0972648 1.3194649 1.0791671 -3.1363356 -0.86917686 2.9828484 -0.3320997 -1.233701 -5.069979 -1.3942215 1.7168163 0.55002284 -1.7635592 3.595448 1.6567079 1.7277141 3.1495185 -1.758506 0.3469593 -2.0696208 1.8098024 -5.0359273 4.069374 3.605047 0.90089875 3.0860877 2.577024 -1.6306686 -4.23559 4.320455 3.2248917 1.6259637 0.86422336 0.97910225 4.877838 2.9166522 0.07407771 0.91347915 -1.964813 0.55830485 4.3501167 -7.4530497 -1.6190189 3.1186416 -0.78521705 1.1424236 -0.7337233 1.0130261 -2.6578414 1.3894808 0.41599768 0.5475162 1.1944218 3.4807358 5.5177197 -2.814554 -5.7117987 1.2810487 -0.6266515 -1.8782645 2.3119354 -1.202314 5.2085123 5.0495567 -4.5705614 0.9307089 1.9699758 5.9379916 0.12990853 3.1012828 -0.94521284 -0.6135069 5.1653776 3.2769809 -2.6248922 -2.4580157 1.6185795 -0.41058075 -4.2735205 0.23615025 1.5546502 0.037702806 -2.7147925 0.986677 -1.1731552 0.7634083 1.3086323 3.8016548 1.7235372 -0.4028422 1.7141109 0.42019096 4.6300216 0.056410532 1.0539794 1.7385013 -2.3784645 -0.44304773 0.3213818 2.9097133 -1.2660214 -1.4828368 1.0924599 -0.16048121 1.4099783 1.2225772 -1.8069046 -0.6072669 2.796744 -2.557696 1.7794824 1.6968088 -1.5605681 -2.7855258 2.8083024 1.4071922 -0.026162643 3.8170075 -4.4206834 2.2838638 -5.1277843 2.7182462 -1.8317838 2.250361 -0.6412653 0.72116256 2.8884273 2.7921424 -0.62362975 -3.364771 -0.46760368 0.84298164 2.9809573 -1.8553531 -2.8690212 -2.0218492 0.22042951 0.82653064 1.5254476 -0.36100155 0.19721192 -0.3445578 0.17396522 -0.07381272 -1.6288475 1.1892018 2.188394 1.4460249 -0.10185992 -1.5104938 -0.14005885 -1.3384281 1.3363355 -1.4102075 0.21674564 -1.8542436 0.69908935 -1.3291327 -3.1183589 -2.9563856 0.55157614 1.2427 1.5437915 0.5242734 1.4582818 -0.9543507 -0.09599442 -2.333301 2.5456557 2.3180294 0.7681952 1.7660613 -0.9574759 -0.0068415515 2.1147783 0.05116424 -3.3449636 1.5425552 -1.8411782 1.9354033 1.3722591 2.2311256 2.8931532 -2.8195314 0.8205987 1.8762085 3.0713265 1.29088 2.1824157 -0.92664105 1.4640737 -3.0454397 -0.06926505 -0.21844134 0.43865624 2.9021788

Lysergic acid is an ergoline alkaloid comprising 6-methylergoline having additional unsaturation at the 9,10-position and a carboxy group at the 8-position. It derives from a hydride of a 6-methylergoline.

-1.0752186 4.052551 -2.683983 -0.26386002 -0.012983516 -7.5544405 -5.840345 1.2056752 -0.3573445 1.343802 0.4986953 -2.871492 0.45229155 6.910569 2.831785 -0.16206045 4.7139897 2.4181333 -5.504189 6.4279065 -4.182329 -1.8923135 -3.011418 -4.6629863 -0.9013686 -0.8814262 -1.0914979 6.4976435 -2.9452965 -2.4290805 -0.7885131 -0.6126022 2.8285103 2.7314136 3.1110656 2.5540419 1.556772 2.1527212 -1.3020701 0.9001653 -0.86312604 2.5185697 3.0487309 -1.7400783 0.2848005 -3.3446949 4.7490892 -2.245269 0.35831293 2.822431 4.2046676 -2.2146091 2.8995795 1.6461128 -1.8420458 -0.69511217 -2.6475036 -2.768372 -4.2647996 -1.1919914 -1.0835625 -0.37393302 -2.0386834 3.0366213 -2.7784007 1.0311401 -2.647477 2.770893 -1.1240383 1.5431272 -0.29614535 4.360269 -1.361172 -2.4104931 -0.09484705 -3.2357397 -5.8315644 5.9755764 5.8589096 8.236318 0.65277827 -1.0388234 0.4775977 4.852001 -0.32538307 -2.4481268 2.8366342 -3.809017 6.5680523 -4.1001396 -0.9282249 -1.8466476 -1.9342377 1.5773852 -1.2297317 2.8031278 -2.9817507 0.5379711 -5.298273 -1.0495721 -1.8236014 -5.463819 -6.1076803 -1.0512409 6.3814163 0.6614924 0.3385655 -5.6872005 -3.0234566 3.1972504 0.0814547 -3.7905679 -1.6460365 -2.0554814 8.547632 -6.494442 3.8607259 3.257738 4.275402 5.5263786 1.7151306 -0.35934174 -3.9277637 0.39899212 7.7922173 -6.385998 7.370631 4.4699984 -1.0708716 3.3763704 5.607932 0.81653136 -8.133962 3.705858 9.557754 3.5061462 0.43294898 -2.6647234 3.395359 8.345126 -3.187349 -0.85245794 0.55917394 3.847015 7.146411 -3.4997623 -2.8846807 2.6727364 -5.1957693 3.5866237 5.082875 -2.175129 -9.622888 0.96638113 -0.23272921 -1.984459 5.45222 0.28268242 2.3764262 -5.954948 -4.3842473 1.4260459 -4.673477 -2.672414 1.0641302 -5.7788415 8.598765 3.348416 -3.3078692 -3.5131047 -2.348327 0.89825577 5.2869225 -0.9822885 1.3242829 -2.5793324 0.92900354 4.1617913 -3.4141643 1.0650675 6.7096705 -0.44200954 -4.803161 -2.1596913 5.032263 -4.1454005 -5.204891 2.808461 -1.6148572 1.669943 7.9549356 -0.87198853 0.3506308 -1.0790933 -4.435998 0.5806084 4.0725265 -1.1751336 -0.22303587 0.7913943 4.2784758 -7.6415076 2.693504 1.3655078 1.1408744 3.5201678 2.6348293 -1.5442997 3.4129026 3.948197 -0.06353822 5.38964 0.8909889 0.44971985 5.1573243 2.9228687 -1.2034497 -0.2616764 -3.2694244 -3.0286386 2.8365998 -6.9907017 -3.1043267 -2.624647 -5.5404983 -2.273453 1.2055554 -2.7487864 1.0942537 -1.8099823 0.8120089 4.2834444 3.1259518 -1.1546004 -0.14659616 0.6075473 -0.34753627 0.936387 -0.71804714 -0.958125 -0.9845985 -6.9942107 -5.31492 0.43140167 -0.8751696 -3.670492 2.4168787 1.8122622 -3.2602615 -0.38230312 3.4523282 5.0254717 1.397359 -0.5444063 -3.049761 0.5014535 4.5718784 -7.1388617 2.1320236 -3.3457887 -2.8766174 -1.7202501 -6.0118685 0.060175084 -8.173213 -1.8317618 0.7622777 0.9043796 2.4476278 2.8659468 1.5298246 -2.0255482 -0.7776203 9.231581 7.8324327 -3.6658866 2.8104053 1.8023667 -2.8208272 -3.5118878 -7.596214 -4.6144776 -4.1571684 4.5000477 1.8368002 -6.743538 -0.00018787384 0.903142 5.6790805 0.07513846 2.2780876 -0.8656447 8.36654 -2.4457471 -0.44012427 -5.3096876 1.6016906 -1.4952286 2.5947835 5.071866

3-formylthiophene is an aldehyde that is thiophene substituted by a formyl group at position 3. It has a role as a metabolite. It is an aldehyde and a member of thiophenes. It derives from a hydride of a thiophene.

0.6471274 3.1775105 -1.9508644 -0.83096296 0.21670337 -1.8360302 -1.9326854 1.113399 -3.0320969 1.6719829 2.3043482 -1.6882193 1.5453999 3.191401 1.0566133 -1.1288968 1.3842906 0.9097091 -2.1622314 1.9076763 -1.3778222 -0.9131448 -0.28605834 -1.6854337 -1.470122 -0.07770065 0.14751133 2.501819 -0.8658639 -1.2101208 -0.25524038 0.40423083 0.9782348 1.1612707 1.4833598 2.4179413 1.5730101 -0.04178059 -0.7676774 0.52471316 -0.37307084 -0.044998407 0.8506499 -0.087543555 -0.5575633 0.3860659 3.7141936 -2.6994061 -0.47769165 -1.3253708 1.8504075 0.6246995 1.6622573 0.4784743 -0.88640904 0.28291842 -1.0385242 -1.6200336 -0.8462548 -0.47112215 -0.3482446 -0.38398874 0.6435066 1.6676184 -1.5587826 1.6880364 -0.5216923 0.51344514 -0.071750924 -1.5546267 0.81782365 2.1336336 -1.4990559 -0.7179511 -1.5381011 -0.725436 -3.0618804 1.6482586 2.847562 2.9453702 0.67020637 -1.4195807 0.9337904 0.35936847 -0.6797571 0.1710735 -0.073186874 -0.56623065 2.6974652 -0.8437455 -2.4378662 -1.8943427 -0.1254653 1.1279389 -0.95884633 0.04729792 0.4471966 -0.4790126 -1.7465073 0.0919843 0.47755805 -2.809428 -1.5773523 -1.4586273 0.5432126 -0.043939248 -0.5397687 -1.6170973 1.2093589 0.2216773 -1.4317421 -1.6691359 -2.9519563 -1.2938491 0.31565347 -0.75626945 1.4213324 1.3841801 -0.6285632 2.2819123 1.8951206 -1.7562405 -0.6010057 0.13702855 2.972486 -3.3138378 2.850269 1.0779183 0.042040363 0.45947376 1.6077749 -0.22086748 -2.6544967 0.35588884 1.6319629 -0.15082847 -0.41799647 -2.7916698 -0.059083678 1.6730626 -0.6064582 0.86048687 0.19715841 1.0791827 2.634217 -2.5582404 -0.53407043 1.4670409 -2.8299394 0.14395139 2.8618512 -1.8439196 -2.9408674 0.3972051 -0.17088827 -0.891714 0.39299855 -0.022931874 0.8422705 -3.2394834 -0.21101381 0.7741598 -1.8662114 -0.7492129 1.7528226 -0.44831324 2.2757525 1.5531127 0.5406917 -1.6810342 -0.9154796 0.09951894 2.5888743 -0.06877482 0.68027127 -1.2857127 1.4012446 -0.48295158 -1.3933529 -0.108156756 2.4678347 -0.36281475 -1.466821 -1.9588882 1.3748975 -0.6045941 -2.3262644 0.24453144 -0.8252852 -1.199749 4.2866244 -0.5910164 1.2631116 -0.5721265 -1.0446638 -0.67505795 1.3593168 -0.39836305 -0.3623517 -0.083198085 0.7724434 -3.210621 1.2656181 0.69134617 0.74014896 1.0052652 -0.022623755 -0.62317365 2.8697686 0.58988553 0.57711565 2.4912171 1.9691381 0.42485344 1.39886 0.22529185 0.109615654 0.30025107 -0.60347474 -1.8002917 0.9603526 -1.4780039 -2.3486733 -1.5432181 -1.4959611 0.65160334 1.6164498 -1.0186865 -0.35069817 -1.0929062 0.8015048 2.5750797 1.1896169 -1.0127802 -0.2071906 -0.10176733 -1.9190387 -0.4406909 0.48114467 -0.11373058 0.14533456 -2.3720186 -0.42312735 -0.2992503 0.018802881 0.60473144 0.20907721 0.8882632 -1.3536782 1.7138473 0.66346115 2.321691 1.378047 -0.33610442 -1.3163747 -0.43594295 2.281871 -0.62226933 0.5035713 -2.244561 -0.47496325 -1.647863 -2.352023 0.17178443 -1.9738582 -0.18835732 0.8352807 0.93820286 0.8372916 2.0599256 -0.32913747 -0.038607553 1.1178454 1.7125355 1.7086852 -1.6930356 1.6312295 2.6419916 -0.23146795 0.067419335 -3.0326972 -0.99304914 -1.9629828 2.6083705 0.8816155 -1.0926119 1.8672465 0.03764011 0.3750216 0.05536057 0.31006318 0.17987221 1.2295696 -0.09555191 0.3142667 -1.3747612 -0.40189916 1.4113084 0.41330367 0.17612803

10-methyltetradecanoic acid is a branched-chain saturated fatty acid that is tetradecanoic acid in which one of the hydrogens at psoition 10 has been replaced by a methyl group. It is one of a number of methyl-branched fatty acids that have been identified as constituents of sheep perinephric fat. It is a branched-chain saturated fatty acid and a long-chain fatty acid. It derives from a tetradecanoic acid.

1.3352743 1.7312512 -0.038395643 -5.3714957 0.66572696 -3.0815659 -1.0333685 4.0271616 -4.013014 2.208778 2.4559033 -7.4522114 0.85916305 -1.0277317 -1.5113864 -3.582661 -0.97787654 1.6495088 -5.5696898 0.1558861 -4.427014 -2.9402013 -0.5693569 -8.424025 -1.8268713 4.090094 0.70404285 6.043431 -4.2728744 -4.474552 -0.0108549 -2.9656963 -0.6155875 4.9661236 4.312595 4.3693867 -3.1990128 7.734483 -1.6461383 5.504347 -1.4302962 -4.8166246 -0.269503 -1.9155024 -7.4918876 0.04177334 -1.4129058 2.3707936 0.04744708 4.7828956 3.695521 1.9029423 3.0095184 4.53154 2.605384 -3.8318517 1.694382 -1.255138 0.7688317 -2.2458375 -1.320462 -7.842599 2.3137763 8.865606 2.52229 1.2470062 0.43576244 -0.77278155 2.0749466 -1.0467597 0.17805967 -0.20739038 -4.1198835 2.9608111 -1.6834215 -0.50553375 -1.0619751 4.096503 1.0532445 1.517479 -4.4159017 -0.97697735 0.04331492 4.978125 1.6540627 -1.3711711 2.1289287 1.9812863 8.147374 -3.1507013 0.97915816 4.0902715 2.9624104 -0.4598262 0.70887905 0.7672578 0.21563125 -0.0021415353 2.2994258 4.1802993 2.6123838 2.850343 -3.4643037 -1.1592424 -5.3519607 3.6428747 -0.43171155 1.3325409 1.0368432 6.001152 -3.216527 2.3167539 -5.794946 -1.2116177 -0.15847595 -0.9319913 0.1849826 3.2983227 3.4361327 6.546628 6.526537 2.9370525 -4.3182306 -0.14749533 1.0873286 -7.971711 4.927677 7.0659122 0.00026485976 2.5631769 8.037066 -3.9758031 -3.7944996 2.572077 3.7910442 -1.4415011 1.9269583 2.47091 10.328666 -0.84204143 -4.706739 0.8981461 -0.16443002 3.749268 6.3977327 -10.41402 -3.610485 5.776734 -4.8204155 1.7019299 0.8873605 -1.0153481 -6.03452 3.0663857 -2.0136127 0.87394184 4.297853 6.68309 8.882233 -0.24101347 -6.86433 1.5285692 -3.405237 -5.421328 3.4076009 -0.31739745 4.710345 5.847622 -3.4967608 3.7807803 2.4003472 6.2964406 -1.0456462 1.4598098 -2.149493 -1.4155182 8.952156 4.475385 -8.362073 -9.47593 2.0534873 0.27337325 -3.3230097 1.8181051 5.679918 3.5493684 -2.1255932 1.1283991 3.1728606 6.4429674 2.3635101 8.569265 -2.0855289 -1.5215597 -0.63326216 0.50194144 1.1517749 4.4068108 3.4150805 0.79541665 -4.489438 -0.06931081 2.288917 3.8156261 -0.0769964 -4.7515326 1.2257508 0.16750804 1.1599635 1.2708603 -2.1738462 -0.3865899 2.0901012 -5.7838016 1.0029991 -0.8871355 -4.67516 -1.4522606 5.7421002 -2.0475864 -2.6124175 3.6293383 -4.267974 3.656169 -11.76679 1.4001031 -3.438785 1.6067984 -4.483526 4.644863 0.46300936 0.90397966 -4.028502 -3.596831 1.6909659 0.5471839 7.0165753 0.11334933 -2.5235226 0.2457382 -1.3598992 -0.7582268 2.0153627 -0.9713901 2.2768927 1.0065584 1.3166199 -1.8392286 -3.5369306 3.0080853 4.389458 -0.61450666 -1.0531439 1.8192488 0.391797 -1.9940734 4.342197 -3.6515977 -3.920227 -2.3036973 1.2326264 -3.644077 -1.1839031 -2.048553 3.5802658 1.3746525 1.446452 -4.030667 4.7654743 -2.1894813 -2.9168587 -2.9986243 1.8705356 2.0581722 1.6222215 5.1976104 -2.1373227 -1.3180444 3.30026 -2.9078503 -4.8307033 0.12515417 -0.8669205 -1.0123235 5.5195184 1.7252114 0.10752032 -0.79487926 4.412591 3.0952451 6.474527 1.6754367 4.458836 -1.5896996 0.5507119 -6.7140913 2.9962034 -0.08098834 3.1672404 3.9166045

2,4-dihydroxybenzenesulfonic acid is a dihydroxybenzenesulfonic acid that is resorcinol in which a hydrogen para- to one of the hydroxy groups is replaced by a sulfonic acid group. It has a role as a metabolite. It derives from a resorcinol.

-2.1742568 1.124712 -1.6136346 -1.2528049 1.5373769 -6.9450545 -2.2049074 1.5017859 -0.8194165 1.2085632 4.4216366 -4.3818674 -0.2920218 4.529084 4.949559 -0.85770917 1.3136749 -0.10102201 -7.038383 2.9033184 -3.8376896 -3.442381 1.3781497 -3.3875952 1.5313903 -1.2584927 -0.24249613 3.248065 -3.3042064 -1.0398538 -1.8566141 -0.45215812 1.231377 3.6684856 -0.5916853 2.993937 -0.22934943 2.186735 -0.050463326 -1.4112895 -1.5464455 0.3647121 1.3221091 -1.3927264 -1.358007 -0.53831923 5.199375 -2.17864 -0.55277735 5.6767097 2.658605 2.0859184 2.664927 2.2227926 -1.7410412 3.1191347 -5.3308825 -0.48590463 -2.1374116 -1.4937605 0.09295061 -0.8193576 -0.1481473 -0.3222066 -2.5282936 -0.33962566 0.7864198 1.0212737 -0.9646881 2.7098475 2.8898191 -0.4564348 0.51057154 0.79700977 -1.7733225 -3.4364147 -4.0799565 5.311825 5.2971835 4.720341 2.4264781 -2.8155391 -0.93308014 0.59557015 -0.14537877 -1.2085485 -1.7113194 -0.18863481 4.8644094 -1.1143537 0.026171707 -3.9768956 -2.0272346 1.0498359 1.0899652 1.1841713 2.9495828 -0.8571911 -3.9682498 1.4529953 -2.143865 -2.2210357 -5.192886 -0.01909779 3.0754504 0.2585244 -2.1637537 -2.2504292 1.70174 -0.60866344 -5.9534354 -1.0789874 0.08676648 -1.7645104 3.4827223 -1.5629939 2.0108306 0.311944 -0.6105531 5.653664 2.4378903 -0.036014754 -4.088528 -3.8132923 4.815973 -2.1404572 3.2601106 1.6413502 -1.2791212 1.6896449 1.5973115 -0.35916772 -2.9837413 0.3171152 3.9588387 2.0935571 0.97191226 -3.4013953 2.1762226 3.0452003 -3.1107295 -1.0407909 -0.3414535 1.1912608 7.152128 -2.4744127 -2.563574 1.4122696 -2.825441 0.20550847 5.8654065 -3.8082514 -4.233882 -0.09939225 -2.0802524 1.7790264 3.3311281 -0.4570828 -0.011747796 -2.7899637 -0.24656679 -0.18119588 -2.4949949 0.3735637 3.4610333 -1.899946 6.1671715 1.2318286 -2.2216415 -3.3064172 1.5179329 1.09754 4.2529974 -0.9509949 0.95574886 0.2498697 3.9541907 1.9416627 -2.649514 1.1123805 2.152952 1.3919938 -4.7044935 -0.8691539 2.3422508 0.4675159 -2.4339762 1.3765401 -0.12932625 1.2057081 4.3631105 1.2883784 1.9764969 1.1860147 -3.5269685 -1.4472053 3.8129046 -0.83210456 -1.553204 -1.8975165 -0.080814034 -7.1215434 3.5810812 2.7247818 0.19649032 0.6806501 -0.653203 -0.17022254 3.5401998 3.4808547 -1.7948614 3.635988 -0.56418115 0.8699032 2.7895806 0.42141575 -0.6375301 0.7168708 -1.5985516 -2.625941 -0.47378057 -3.8827665 -3.7015946 -0.2850438 -2.500234 -2.3762527 2.861614 0.42295903 1.6550161 -1.6755991 1.9052093 6.0922265 0.8073866 -0.06414079 -2.0515952 0.29295424 -0.58661604 0.9571391 -1.2345418 -1.7948998 0.36248526 -2.465985 -1.9318675 0.75343275 -0.4396376 -0.72738713 2.9447236 -1.7335608 -1.5742471 0.9030689 0.20360738 4.4756947 1.4930358 0.7220592 -3.370601 -0.7037608 1.1485807 -2.8882408 0.22859165 -2.3288493 0.4092333 -2.940455 -1.3260255 2.4148312 -3.5022259 -1.9294304 0.038657993 1.7429261 0.2344765 3.3885694 1.7289727 -1.6735468 -0.34499073 6.9109483 5.631802 -1.4734397 1.8272775 1.6202422 2.2958922 -1.4024454 -4.729475 -3.6761954 -2.253505 4.105487 5.443618 -4.205597 3.7636623 -0.6605498 5.078048 0.9605579 2.953151 -1.3772894 4.2828107 -1.2009746 0.01487213 -2.4373038 1.181911 -0.88099813 3.4508553 1.6513054

Amlodipine is a fully substituted dialkyl 1,4-dihydropyridine-3,5-dicarboxylate derivative, which is used for the treatment of hypertension, chronic stable angina and confirmed or suspected vasospastic angina. It has a role as an antihypertensive agent, a calcium channel blocker and a vasodilator agent. It is a dihydropyridine, a member of monochlorobenzenes, an ethyl ester, a methyl ester and a primary amino compound.

1.2462338 8.902251 -3.8580973 -3.6727953 -0.05155492 -4.464263 -8.64253 1.2201474 -1.1626855 0.45719507 6.0579796 -5.202663 2.1220899 5.559303 -0.46609694 -1.290922 4.185502 1.8778005 -12.085117 5.4083424 -3.0036714 -1.9506233 0.21811405 -7.771525 -3.1682172 -2.3540783 -2.1073303 8.717824 -3.6754663 -6.1616173 -0.6211121 -2.9723349 2.8903863 8.039532 2.5728114 4.6655846 -0.27324003 6.4870176 1.1321299 1.2916892 -2.8178475 2.4302754 0.65388155 -7.634044 -3.6359072 -5.5084314 3.301677 -2.0823753 -0.100630626 4.0871406 7.3656297 -2.1083024 3.7010202 5.032386 1.3957286 -1.4745046 -0.7422836 -6.1456165 -4.887606 -1.7858714 -2.8119266 -0.907938 0.03884358 8.008065 -1.0173185 2.860076 1.4517374 3.4749746 1.9561267 3.5256429 0.07339877 5.8977256 -4.751299 0.16377318 -2.4767735 -2.0146687 -8.042343 9.665938 8.044432 10.811622 -1.2604121 -4.955454 0.03696944 4.038747 -0.40737608 -2.7046947 0.12903804 1.425287 13.185873 -3.0060363 -3.4914372 -0.81518126 0.55395585 4.407218 -1.8649976 2.6115918 2.0315664 -0.2586866 -0.5740931 1.2992857 0.9697263 -4.1906524 -6.1016016 -3.6351924 1.012245 0.55532855 3.7288582 -9.361945 -0.39013663 6.734326 -2.6739576 -4.2640414 -8.113166 -1.4737383 5.616088 -1.9265661 2.212956 1.1865265 0.43637764 4.234659 4.3342667 -2.73745 -8.4024105 -3.1992366 7.0066123 -11.731198 10.770297 3.7878077 4.1557193 5.7111096 8.493395 -4.1298327 -8.980632 9.162164 8.112415 5.12023 -0.86584723 -0.015503418 7.617178 8.312891 -3.2252443 0.1779721 -3.9011793 0.43172422 10.452778 -11.016255 -4.9217105 8.83941 -8.089355 3.4606216 6.4892974 0.53323144 -10.505751 2.1805615 -1.5748594 1.8838243 8.188389 5.3561916 5.1783357 -7.403285 -6.5130396 -0.56174505 -8.431344 -3.1095414 4.0927806 -4.662807 13.938578 7.7375016 -9.033753 0.26704746 2.199587 3.6228757 5.94957 -0.31924397 1.8286923 -5.6218143 8.655663 4.7078648 -5.528987 -2.7061768 4.977987 -0.34659138 -5.780788 -3.4287477 4.912661 -0.8045339 -8.105898 5.5604057 0.10717379 1.9621562 7.917156 4.7575903 0.54598176 -3.4036672 -4.4929576 -2.879301 4.488711 -0.82422954 0.6469418 0.6583001 -3.8461063 -7.503041 2.4087312 6.4889045 0.96058947 1.6253929 0.9330073 0.05393073 4.4298077 5.2872734 -4.085762 4.6807623 3.8713617 -2.3967414 4.308072 2.0900013 -4.8060236 0.4048798 2.552266 1.0919689 4.084489 -6.3167276 -5.9684944 0.9947747 -12.404594 -1.8407874 4.438151 -3.8863044 0.9945114 -3.8508992 5.8683486 10.369724 -0.114982285 -4.680017 -1.1354308 4.081695 4.540772 0.9390961 -1.0286086 1.9730622 1.9225371 -3.070484 -1.2505493 2.5150688 -1.8428272 -5.753104 6.7238364 1.5319321 -3.6987197 1.9362507 3.6227515 3.4694448 2.2368948 -5.2303753 -2.093442 0.34225404 3.218256 -7.3660393 1.6291355 -5.544449 0.9420772 -2.4137118 -5.98216 -0.56821823 -1.8888593 -2.1025803 -2.659249 0.48265344 1.6627495 2.2570877 0.52207416 -2.86569 5.523574 7.347952 8.952549 -3.6745322 1.5772644 0.85398424 -0.10239628 -1.0042261 -9.084343 -8.249435 -6.384113 4.6753106 6.6187887 -1.2318103 5.4900255 -2.7174501 3.3514163 -2.483649 3.1415112 3.5300028 9.074125 -3.852902 6.4788995 -5.4137444 2.7457762 0.9799596 -2.207333 7.4205484

5-O-beta-D-mycaminosyltylactone is a macrolide antibiotic that is tylactone having a beta-D-mycaminosyl residue attached at position 5. It has a role as a metabolite. It is a macrolide antibiotic, a monosaccharide derivative and an enone. It derives from a tylactone. It is a conjugate base of a 5-O-beta-D-mycaminosyltylactone(1+).

-0.6971952 8.014819 -5.9034715 1.5184577 -2.522315 -12.493911 -5.2618175 -0.57324284 4.637678 10.83884 2.9578354 -6.178684 -7.055745 18.850008 7.6798553 -0.8403927 9.83224 -4.8595285 -26.61921 11.111364 -9.100292 -19.816732 -9.973801 -1.3619329 -7.5738263 5.0246983 -2.0509138 12.771956 3.8538406 -12.926543 5.1734924 -4.024277 -2.4118137 11.683802 20.800386 -0.5146228 -5.79529 12.035647 -5.6201015 -3.4963417 -9.163653 6.3193913 5.9228563 -5.899694 -1.3985813 -6.5920544 0.7721815 0.596031 3.4028597 18.415262 10.139899 -8.269356 13.997619 0.5421745 11.258565 2.7705324 -3.8367312 4.191387 -6.199109 0.19927433 3.7770643 -5.1259785 -1.8782657 13.875375 -4.9947414 -2.8573098 4.9427023 8.328428 0.94267726 -9.344597 -3.4358869 2.2839775 -13.258362 1.5987529 4.555256 -8.016942 -12.739643 14.433095 5.12983 7.192569 -8.126577 -2.6028442 1.6494845 7.8602023 5.942445 -5.0207257 9.179605 -5.8303537 12.856295 -9.12302 -0.6551591 3.980582 0.36673743 -0.46956787 -4.5260706 3.063466 1.8974711 5.6261625 4.341363 -7.684178 4.2242084 -10.248532 -11.578436 1.3523474 11.901529 6.7950897 -1.6764159 -7.3306684 -4.0381484 6.1350765 -11.639895 0.90605617 -2.50153 -4.802516 14.354439 -8.114549 1.5065699 6.183863 9.468179 6.9979835 9.861375 3.2447996 -8.677147 -2.5041485 12.028932 -24.61563 20.460714 7.3158455 -10.300529 11.866923 9.145442 3.00452 -17.866796 13.850851 21.70314 6.571353 8.756024 1.3858868 11.282293 16.365883 -6.7150464 -2.1657715 -3.4030714 3.0131338 14.226955 -3.0901573 -5.2479615 12.132232 -14.127092 1.1275573 5.136736 -0.94876665 -18.480831 5.109334 -2.415343 -4.059295 16.715067 5.4113116 14.881701 -10.045015 -16.09023 3.7073426 -11.121883 -1.9105839 4.2397323 -1.8611287 22.174417 12.843165 -14.400533 -0.98779243 8.458806 15.2405405 4.878324 4.4520884 -3.0005121 -4.0310855 7.476955 13.019378 -3.2167375 2.2788427 -5.789568 5.5887046 -11.702351 -1.8770592 3.461452 -9.123987 -5.330717 0.9764229 2.8378074 1.3362198 5.2506623 7.056424 2.161557 4.7541685 4.1007204 1.722425 4.3399 1.1738496 2.1497226 7.547387 4.0902185 -6.080354 4.5632324 12.179613 5.058248 2.9862294 -0.7443811 -2.7978377 -0.8139535 5.514832 3.0594254 0.7303171 0.021128267 -6.9820485 -1.267999 7.7317467 1.2609997 0.29906803 -2.5601156 -8.08615 -1.5733025 -8.020565 -2.2297368 6.431974 -6.684263 -10.798931 -8.54195 -0.016989406 1.8996753 -0.14983445 5.7093563 3.3574147 6.6904483 -2.355856 -1.7723458 2.0215795 8.886034 -2.0997074 -9.642833 -10.465474 -6.731334 -2.8495207 -3.9310577 1.2591064 1.7040261 -0.24860722 3.5390592 -2.1418235 -3.6962228 -9.43785 8.042735 4.272659 -5.9936094 9.630028 7.2607465 5.9652405 6.849498 -11.086588 -5.436759 1.2360402 -7.800652 -0.5734007 -8.015309 -3.0513365 -5.38197 -0.9683039 5.2344837 -2.9412541 9.307517 4.3439384 -0.067110404 -5.6993523 -0.97473323 0.33244047 10.933073 1.6723728 -0.0051758587 -1.6271443 6.391148 -1.3286313 -9.994631 -5.063895 1.7383218 9.912544 7.2873187 -10.044356 -7.054378 -4.2540236 13.678418 6.5130796 -1.9840297 -7.0944734 20.28469 -3.037892 -1.2199659 -17.605066 3.7180686 -5.3741164 1.2216102 8.366279

Beta-D-Galp-(1->4)-alpha-D-Galp-(1->3)-D-Galp is a galactotriose consisting of beta-D-galactopyranose, alpha-D-galactopyranose and D-galactopyranose residues joined in sequence by (1->4) and (1->3) glycosidic bonds. It derives from a beta-D-Galp-(1->4)-alpha-D-Galp and an alpha-D-galactosyl-(1->3)-D-galactose.

-2.3271272 9.6331835 5.842348 -0.016983312 0.92930377 -25.047787 2.4111874 -0.9167675 15.456633 4.907603 -1.6525576 -7.1546874 -12.516331 10.375101 6.412874 -3.263135 6.67057 -10.009365 -30.138466 13.955749 -6.702799 -17.26155 -13.268464 -6.0562177 -11.619432 3.2811313 2.19723 6.857161 2.209417 -6.1807647 2.5901735 -1.5200396 4.106867 10.553971 21.65154 -0.85043037 -6.4560146 11.793383 2.688532 -0.27513075 -14.7793 3.5481265 -2.700586 1.7725738 -3.3207421 1.081895 -1.1384791 8.791301 -1.2070712 25.608973 7.9950795 -3.6275063 11.9299 0.50187683 17.737724 0.6898062 -5.222905 11.170491 -4.583794 -2.5306704 4.6861644 -9.418024 0.46202618 6.7073298 -6.562759 -1.3223764 4.1286755 5.726791 -2.313675 -10.260453 0.99626106 5.9700804 -9.684479 5.723725 1.2086356 -8.1484165 -18.997438 14.477347 -2.0348854 2.1492689 -8.80338 -8.832501 -6.049773 2.815163 5.634663 -1.358932 12.058992 3.2677805 8.65366 -4.576553 -0.5079725 -1.5093741 -0.9675827 2.2456665 -0.88496363 -6.885982 9.922898 4.7550178 -0.08778374 -4.3583045 11.021787 -0.6258318 -16.698608 -0.21127227 12.198044 5.784292 0.05041632 3.8765006 2.604258 3.922714 -8.300025 8.10163 6.9527082 -3.5782611 17.962603 -11.97894 -5.9654026 5.346371 12.825259 9.763753 12.161689 3.9346685 -15.358564 -4.4087462 6.414083 -23.402863 17.909828 9.2635975 -15.537008 9.214168 -0.7663039 4.587366 -12.976499 18.285799 26.465326 6.083322 7.5749354 -4.065649 17.140242 16.221905 -10.916314 0.7550254 5.993005 4.4381943 26.932388 -7.2063165 -10.398539 18.721073 -15.5276575 3.4320884 12.275757 4.8924313 -11.533286 3.931127 -0.6784477 8.2719 22.538017 11.843162 23.097425 -5.2422595 -21.038946 1.776036 -9.642931 -0.6868724 7.006269 -2.864933 35.146343 8.049345 -11.51324 -0.47770095 9.408244 13.430835 9.892765 -3.8947146 -3.8307428 2.0962121 14.1577635 13.696691 -2.9476357 -0.74036986 -13.8894005 2.8463151 -12.124667 -0.41905314 1.3232124 -5.320441 5.6249433 -11.059363 3.798687 -1.9376395 7.7425303 6.607508 2.2565205 8.778346 0.6092334 10.130746 1.7699368 1.3115339 2.1850421 2.4733727 2.5199404 -1.0915825 6.8574843 15.635999 7.1754827 -1.2477546 -4.081863 0.68873054 -0.170643 10.499932 2.9981654 -2.3677127 -10.28207 -4.9093747 -6.983574 9.550984 -2.3309739 1.1070943 6.167767 -9.095689 -3.3946922 -3.3173735 0.50391006 11.959129 -4.339578 -12.934954 -11.745187 2.5603154 6.810425 4.354653 1.1394156 3.0199468 4.5219154 3.552534 -3.9329984 0.7862262 14.385743 -0.6558532 -16.437561 -7.2368507 -5.5332346 -3.2487826 -1.653499 -1.4371341 10.916009 3.7739244 1.395242 -8.576841 -2.7598069 -2.56999 3.8585746 3.9902976 -8.913229 6.918749 9.767643 10.81221 -0.49395967 -18.430033 -8.990499 4.9973626 -9.8645935 -7.6710334 3.9322753 -0.3099744 2.2364058 -5.4616184 9.399182 5.423689 11.05118 -1.3867253 1.2871714 1.4372953 0.26779562 0.45074916 19.15846 18.623842 -0.8435458 -8.548738 8.4501295 7.5236955 2.0904694 -4.686495 1.7264681 -0.6336344 12.24874 -10.879715 -7.742873 -5.8762045 15.016403 5.009166 3.9618795 -6.2984996 21.25006 -1.1056294 5.56125 -16.945242 -2.0470057 -4.920011 9.9335375 4.575466

Bevantolol is a propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydroxy group is substituted by 3-methylphenyl and one of the hydrogens attached to the nitrogen is substituted by 2-(3,4-dimethoxyphenyl)ethyl. A beta1 adrenoceptor antagonist, it has been shown to be as effective as other beta-blockers for the treatment of angina pectoris and hypertension. It has a role as a beta-adrenergic antagonist, a calcium channel blocker, an antihypertensive agent and an anti-arrhythmia drug.

-3.1383605 5.433801 0.13122702 -4.677919 1.9226955 -5.829139 -7.913856 2.2868967 -4.209322 2.4362493 8.472635 -8.530353 1.8717458 9.700737 5.620676 -2.3045342 1.8432273 0.7970946 -12.303105 5.8121624 -4.8226953 -3.1925185 0.46116814 -9.037043 -1.8856047 1.8041759 0.104032665 10.112735 -4.222809 -4.609909 1.7351635 -2.1643267 1.5826168 5.3862457 0.014135309 6.2868958 0.89458793 5.35931 -1.3993338 -0.43737313 -3.318656 2.1523182 -0.28837612 -7.097073 -0.7407396 -5.731817 7.294411 -4.830328 1.1120154 6.604131 7.245743 -0.06436372 3.813392 3.2144885 0.08359856 -0.9759167 -0.85561574 -2.9126406 -4.5210414 -2.5301325 -2.3435173 -2.7271025 -1.2949326 5.214067 1.9884126 -2.6936028 1.0475649 -1.8664045 0.82387096 3.257007 1.8678883 2.0416298 -2.4793444 3.381885 -2.8490903 -0.8196944 -5.924434 8.374986 7.074646 8.760426 -0.6987375 -3.8918128 0.7540264 0.127473 0.5098072 -2.1937928 0.006628096 -2.1058722 12.380864 -3.0835085 -3.4687054 -4.2906675 1.8751124 0.05796334 3.858824 2.6129198 1.6327658 0.11906402 -2.889557 1.7391989 -0.15224077 -4.761912 -6.2912164 -3.492879 1.7955239 2.868003 0.3588268 -7.233375 2.4640858 4.317242 -3.779854 -4.457948 -7.8319 -1.8591427 7.0891137 -2.7746367 2.8512847 1.3396235 -0.32746345 5.061349 4.50407 0.13958736 -4.9899063 -0.8398138 7.702351 -10.662264 6.683957 6.4136324 -2.6718771 3.047806 6.777363 -0.31420767 -7.716303 2.4767308 7.846967 2.7152088 -3.2339897 -1.5427728 5.688773 5.535484 -5.72352 -1.8172346 -2.553314 3.0457969 10.938251 -11.71548 -1.455369 2.6858497 -7.1697855 4.262315 8.544229 -3.2527385 -12.226824 3.4694953 -2.7013733 2.979346 6.1852546 2.7401476 5.152751 -8.023623 -5.681026 -0.8890972 -4.26059 -4.1776295 10.882307 -2.9906375 9.209354 6.3976765 -3.8617344 -1.3601482 1.7007328 1.527935 5.1093154 -2.251042 2.955866 -3.5526123 6.9180865 3.5982854 -8.756688 -4.047098 6.7986507 0.57572544 -6.560831 -1.5794082 5.693316 0.6312219 -5.4113274 3.4841893 0.50439256 3.102454 3.6809888 -0.007062882 -0.5293549 -1.8204132 -3.9507334 -0.8661991 1.1569963 -0.80649745 1.4488055 -1.1705377 0.35062218 -6.3825006 2.5806556 3.4925807 0.089085996 -1.0573102 -2.5716877 -0.93652207 4.5877423 3.7621408 -2.2260265 5.640304 2.038931 -1.398798 3.2264626 1.633027 -3.5320864 4.7706947 2.1679373 -3.2877448 4.4708858 -6.5972996 -7.143464 0.30889946 -10.457395 -0.72848487 6.3342795 -0.5212676 -0.5709111 -2.456241 1.3388379 10.664233 -0.44228262 -6.1231084 -0.3956087 0.53834134 0.6142918 0.82346475 0.18705523 -1.0058575 1.4418192 -2.2305498 -0.22439228 -2.361138 2.5160697 -1.5932134 2.948773 -1.4041846 -3.4129486 4.223999 1.1518366 5.968322 6.4591618 -0.2057957 -5.796643 -2.1111813 3.1316407 -5.769372 -0.16414009 -5.5541177 -0.0035141855 -4.9842405 -4.6888723 2.74243 -4.03344 0.47819722 -1.5299652 0.84706324 1.7419845 2.9145272 1.5204468 -3.2778919 0.47791898 5.4809294 12.038038 -2.7582219 2.5744193 3.3799672 3.9235249 0.009006277 -7.999792 -7.8650737 -7.5481296 6.0899634 9.174674 -2.5006454 5.370262 0.31930137 7.1531124 -1.3681052 2.9841824 1.7074196 9.159263 -4.3843203 2.7072139 -6.132304 -0.36876005 0.24386907 1.8857597 6.9837027

Globosumone C is a benzoate ester obtained by the formal condensation of o-orsellinic acid with (3S,4S)-1,3,4-trihydroxypentan-2-one. It has been isolated from Chaetomium globosum. It has a role as a Chaetomium metabolite. It is a benzoate ester, a member of resorcinols and a secondary alpha-hydroxy ketone.

0.86007637 4.7900896 -0.75141215 -5.1646366 -2.8892074 -7.714668 -3.5265672 2.079329 -0.8901562 1.107844 6.6078424 -7.590593 2.0733128 5.023686 2.3044498 -0.4027881 3.056354 -0.46700683 -11.201502 3.9696288 -3.6631207 -7.15274 -0.273379 -5.743851 -1.5668684 -0.09159909 1.5934843 7.123597 -3.4192712 -4.252006 0.3026107 -2.82603 0.8017268 4.9303546 2.1937127 5.894199 -0.6436461 3.6698744 -1.2170517 3.1069033 -2.792652 1.7421542 -0.5860224 -5.724067 -1.0321532 0.019877184 3.8528497 -0.50443286 -0.05823718 6.568652 6.033666 0.44740096 0.9868271 3.7612405 1.57337 1.196446 -1.7036092 -1.0022317 -1.2482302 -1.1971123 -2.55849 -4.37022 1.0990841 3.5856535 -2.1891992 0.042386033 3.185925 2.6326094 -0.8164859 3.647976 2.9703455 3.5738735 -3.3112915 -0.3366198 -2.7578633 -3.0039356 -7.093269 4.905438 5.42191 7.057907 -1.7504796 -3.6387422 -0.7265245 2.3176475 1.4896643 -3.6835148 0.5163162 1.2060262 9.225568 -2.5766644 -1.8159242 -3.335275 -0.4038151 2.8658273 0.96933115 4.2065063 2.3191495 1.0843103 -4.161157 0.79986346 2.077306 -5.0870013 -5.938207 -3.4266877 1.6142279 -2.1167345 -3.8773391 -2.2330582 0.2904033 0.9952462 -2.3021357 -4.0669026 -3.4939086 0.37124383 4.4819975 -2.1688664 0.5864253 1.8226322 1.0222131 5.0169983 2.4157844 0.47164226 -5.0147033 -2.3595116 3.8329906 -6.358384 6.3864264 6.2544518 -1.6767418 1.9202015 4.6805153 1.2535228 -7.6119967 1.6452503 7.6898108 2.4912267 -1.2150846 0.025605977 8.45418 4.514839 -3.2302434 -1.5543321 -4.3017306 3.2964463 8.148474 -10.426709 -1.9413689 2.1199548 -3.1829536 0.9306891 3.419992 -0.41441083 -10.039309 2.0803688 -0.22821519 1.9587681 6.145371 3.5004804 2.3012764 -5.087874 -4.9827514 0.59103674 -1.9328344 -3.9544246 3.5873892 -2.615992 9.432974 3.8577914 -3.206443 -1.1283655 -0.7014009 4.779258 4.585798 -0.40505576 -1.3688611 -1.1764076 7.101174 6.1868095 -4.103252 -2.5191312 2.7883391 -1.2327809 -7.7136602 -0.00046967645 3.23697 -0.34189573 -3.9759746 2.8265138 0.12111087 3.905053 3.904436 3.7865262 1.5070512 -1.9745597 -2.6106682 -1.1111845 3.8978007 -0.24857356 -1.1790984 -1.6466745 -1.1445956 -2.752533 2.142814 3.0446992 -0.19723865 -0.87028813 0.7126597 0.4781624 4.3461795 3.3206925 1.6473367 1.5626334 0.3240162 0.4098757 1.9938874 1.9475226 -3.1676059 1.8379996 3.1838603 -1.405106 0.27282164 -1.1701227 -4.3186855 1.6511413 -7.6812305 -0.58349085 1.9814937 1.0588838 -2.0434906 -1.0120754 4.453108 7.056047 -1.2815901 -2.5709267 0.1527114 -0.5373428 -0.055497743 -0.024894174 -1.665729 -2.794352 0.094531305 -0.6489568 -1.1352926 0.35167646 2.9003499 -2.317594 -0.19681135 0.28112632 -2.0836053 1.5214273 3.3426504 4.137841 0.32345742 0.9653543 -2.316806 -1.5176245 1.664719 -2.7897701 1.5433724 -1.4522972 1.2830881 -4.7471075 -3.0358503 0.808284 -3.3285713 1.2161344 1.2762927 0.46727687 1.5464424 -1.158208 2.2923155 -1.8813102 -0.5245739 5.318623 7.538111 0.25071257 1.0734776 0.41059154 0.41900802 -0.15609199 -4.807506 -2.2166784 -2.2480483 4.212235 5.636879 -2.7316358 1.0693687 0.8039464 5.0871496 1.0607077 4.027533 0.10839751 6.311238 -4.945608 -0.5844726 -6.7735987 0.22972184 -1.010287 2.8091202 3.3267353

Ballodiolic acid is a diterpenoid that is 3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid substituted by methyl groups at positions 5, 6 and 8a and a 5-hydroxy-3-(hydroxymethyl)pentyl group at position 5 (the 4aR,5S,6R,8aR stereoisomer). It is isolated from the whole plant of Ballota limbata (Syn.Otostegia limbata) and acts as a lipoxygenase inhibitor. It has a role as a metabolite and a lipoxygenase inhibitor. It is a monocarboxylic acid, a diterpenoid, a diol, a carbobicyclic compound and a member of octahydronaphthalenes.

2.803345 3.1206446 0.0924778 -5.626449 -2.6639447 -3.363875 -3.0081453 2.0739055 0.36726826 6.487927 4.7612333 -6.7478848 -2.2799032 6.5883603 2.38623 -1.5700597 7.619142 -1.8615192 -7.5093493 4.8850455 -5.2599745 -9.669566 -6.8469677 -3.496812 -5.1477804 2.2839348 0.52132845 10.548653 -2.5636172 -6.8111777 1.3243102 -0.16277307 -2.166026 5.7442336 9.047901 2.679343 -1.6911728 6.6379027 -3.9514139 1.490103 -4.5960193 0.94056594 8.732237 -3.1221044 -3.8112752 -0.92961 1.2932038 1.1689386 -1.6447183 7.0942607 4.6916513 -3.120386 4.426236 0.5709494 2.6287472 3.7659178 0.36991677 4.572019 -0.74676794 -1.5272567 3.956344 -7.213853 0.8646349 10.171204 -3.157289 -0.21962059 2.2478092 1.2900217 1.6559967 -1.1647872 -3.1032014 1.7480931 -6.109301 -0.15309654 0.69526577 -3.5956323 -0.8099449 8.775343 2.7934954 4.1615305 -4.876491 -1.4320176 0.07232733 5.967833 3.150781 -3.9503767 4.294699 -1.4714786 12.005985 -2.8489006 1.9311019 -0.30548635 -1.5515394 1.4622219 -0.06657198 3.920385 -1.0767618 2.034318 -3.8354287 -0.16096705 1.8529891 -5.1132717 -6.743607 -1.1713592 1.622142 3.584635 -4.8457446 -4.2457967 -2.5616577 7.134139 -6.7783036 2.5589418 -1.0287712 -1.5871236 5.1272182 -4.9278746 -0.15921591 0.6469749 4.166108 8.964582 4.2708464 3.8683727 -4.305165 -0.67478544 5.2245255 -9.286077 8.987863 5.1622524 -3.528253 6.027315 5.090696 0.8702174 -8.57322 3.771664 8.727316 2.8977437 2.0505042 2.7873878 12.862909 5.145151 -6.611961 0.617528 0.5516063 4.438352 4.132809 -9.78575 -5.561593 6.269814 -6.021004 2.191372 -1.4881328 -2.2352915 -7.03753 3.1223762 2.5508568 -0.6402312 6.962721 6.2179704 8.9686 -3.2231338 -6.5937824 0.92309916 -4.90183 -4.6972275 -4.384118 -1.3281476 9.102427 2.4737568 -5.651177 0.035969704 2.7035406 5.849556 0.62753737 0.737479 -3.4551158 -2.8216507 2.8949132 7.649687 -5.049584 -3.3342743 -1.1304209 1.9384123 -6.426778 0.945905 4.9832134 0.67787385 -3.257385 2.7949417 2.0029263 3.341838 7.1215973 6.916028 1.116278 -2.6688273 1.5972462 0.305758 4.896394 0.31305405 1.6317499 1.8677852 0.13971314 -0.71275824 5.1245637 9.139613 1.2993859 1.1735916 3.273617 -0.50625783 2.4852014 5.969497 -0.13389845 0.45109668 -3.0069647 -6.3173146 1.8899249 0.5699172 -2.5573459 -1.627751 3.5035968 -0.7424173 2.5746448 -0.95930225 -4.9343257 2.5802698 -4.451515 -5.0797796 -3.2371883 3.8581517 -0.032768458 4.21654 -0.48344594 0.66336364 1.0168163 -4.9028106 2.136293 1.6596875 5.2574377 0.38540533 -2.7893524 -5.722785 -3.0176005 -0.3953737 -2.8666975 0.22668175 -1.1734726 -1.5056059 -0.34404302 2.6877558 -4.091774 -2.981919 4.0310993 2.0121598 -0.8088843 1.4052128 0.76418984 2.6705272 6.379308 -5.153371 0.545159 -0.73983616 -5.629721 -1.5695083 -4.0583916 -0.5454269 -1.4441367 -2.2066898 3.2386112 -1.4027232 4.8588996 -3.2709095 -0.87153083 -0.75073206 -1.5422633 6.020169 7.634386 0.93516886 -2.3851342 -0.9506105 -1.0842669 -3.9478323 -8.016921 -1.3223555 0.5854166 0.3050748 3.4874678 -5.2273693 -6.6384616 -0.20841175 7.860688 3.5214784 4.736887 -0.9486295 10.608017 0.30524608 -2.8011112 -12.621937 1.8086737 -1.908207 2.8959527 6.604113

Quercetin 3,7-di-O-alpha-L-rhamnoside is a quercetin O-glycoside that is quercetin carrying two alpha-L-rhamnosyl residues at positions O-3 and O-7. It is an alpha-L-rhamnoside, a monosaccharide derivative, a polyphenol, a trihydroxyflavone and a quercetin O-glycoside. It is a conjugate acid of a quercetin 3,7-bis-O-alpha-L-rhamnoside(1-).

-5.153332 7.2994084 0.8008241 -3.1188912 0.49733233 -22.726025 -3.1588974 1.5795269 10.626603 2.4243565 6.4951 -12.186461 -9.524399 20.217655 11.987023 0.36642504 11.095633 -7.148556 -31.648733 13.3010845 -9.14321 -18.953915 -7.0238423 -8.662378 -4.9680886 1.479353 -0.85868764 11.725268 -0.5414927 -6.2953277 1.705926 -0.29631305 6.913843 9.621569 15.19974 3.5345309 -3.378632 9.222154 2.5427084 -2.857521 -9.490948 3.8835049 -3.8453662 -7.6972637 2.269554 -2.5546074 7.397489 -0.36114037 3.8111343 23.527569 10.487623 -2.155874 9.51513 2.9050686 10.245164 4.1044497 -10.090121 3.1099513 -5.235986 -1.3086038 -0.71790445 -7.423302 -2.2670424 4.5917997 -5.0376086 -0.95502555 3.6677349 6.2915764 -2.8205447 -1.4401984 4.041026 0.57273495 -9.036542 4.9958963 -2.2863975 -10.304603 -19.394886 20.002594 8.056877 9.980103 -6.5321546 -9.85647 -2.9428928 2.0210178 5.1744585 -2.5835097 4.900542 -2.1008108 14.761398 -8.088264 -3.5237732 -8.250663 -1.4918847 1.150807 1.6230001 -2.1764271 7.657092 3.1513019 -2.9994636 -2.2137651 6.907878 -10.28017 -16.423824 -1.2429551 14.42743 5.8338647 -1.084881 -3.7171562 3.0899425 0.78866726 -10.947761 3.5815887 0.7746745 -1.6435128 18.555964 -12.309081 -1.8734056 1.7026674 11.257865 12.440965 11.731879 3.0225146 -13.221853 -6.2605085 11.772154 -21.275143 17.017155 10.142494 -17.430187 7.2119727 1.2267171 3.9076624 -16.998556 11.195402 27.35753 10.421931 1.7558949 -7.913209 13.597109 18.944136 -9.592401 -2.922243 -0.21215105 7.747683 25.460453 -9.866535 -7.326873 11.0636425 -15.219401 1.439046 15.786704 -0.7980604 -21.392078 5.7523365 -6.2462177 6.8042917 19.237469 6.554552 12.6513605 -13.226802 -14.678516 3.2027833 -6.5575366 -4.266371 14.294124 -4.0393085 31.225159 10.647104 -8.5639515 -4.787432 6.8575115 11.712043 11.135511 -3.8295875 -0.6343221 0.29515177 10.994421 8.178431 -5.8810983 3.667861 -5.222041 -1.4590881 -17.551725 -4.198031 3.6503725 -6.601969 -4.20556 -1.2235276 0.64769685 0.03155133 10.548837 2.8522573 3.2919853 6.152331 -6.0795245 2.930272 4.7070427 -1.4219973 -1.1443158 -1.794669 2.7310991 -9.052449 6.6099696 12.537502 1.5910633 -0.53722745 -5.280919 -1.2551857 4.0255604 6.5470247 -1.3979611 3.9871993 -6.177595 -2.636948 0.2707313 7.219712 -1.2358837 6.0526876 0.48031867 -9.105628 0.2742278 -10.4272785 -5.1241903 3.5821376 -8.1270895 -9.610722 1.8747233 -1.7264802 7.318419 -4.1885405 4.609606 10.722566 5.615458 -1.0626112 -8.265283 -1.4855303 5.7455482 0.5947806 -10.263611 -7.365746 -2.4735732 -8.81227 -7.637774 -0.6774472 9.324974 0.53148335 5.5873194 -5.695094 -3.9124646 -1.7312852 3.592571 8.866614 -1.1700525 6.3056993 1.2246007 6.5469346 3.340924 -17.151066 -1.9001013 -2.568595 -7.4976225 -7.6246595 -4.189734 4.958103 -7.4632792 -1.5742582 4.4640923 2.5766046 7.405586 5.2317805 5.8838215 -4.419138 -0.5843492 12.480719 20.1496 8.513975 3.8978555 0.44116738 7.1639457 2.5697727 -9.570336 -10.635543 -3.6988344 7.23834 11.715229 -11.534994 -1.8106164 -4.372651 17.33482 5.7615623 1.4202592 -3.6478777 20.202496 -3.8226058 4.5696836 -14.496497 1.397575 -6.0290017 7.0475464 6.0965257

Silver(1+) sulfadiazinate is a silver salt, a sulfonamidate and a member of pyrimidines. It has a role as an antimicrobial agent and an antibacterial drug. It contains a sulfadiazinate.

-2.4816923 4.63576 -3.362879 -1.4100796 2.1486933 -6.304225 -6.608449 3.5457315 -2.3686855 3.970834 5.3156323 -6.0352907 0.79742414 4.4651785 4.589119 -2.888911 -0.7760826 -0.08191927 -9.440247 3.9657006 -6.277501 -0.8151596 -1.4563034 -3.4275968 -1.0391659 -1.2372556 -2.7078805 4.3242064 -3.0287304 -4.8143787 -1.3072028 0.018459946 2.3556519 4.61701 0.597792 3.4180634 1.9711757 2.5663812 2.178199 -1.84394 -1.8332973 2.0852776 2.4632459 -0.40864575 -4.780514 -2.483547 7.6169953 -4.49869 -2.552146 2.5519042 5.080294 0.7087985 4.201717 2.7149503 -2.0418067 0.77492344 -3.5502949 -3.7253652 -4.764122 -2.2482464 0.8848818 -0.20478052 0.5844428 0.36661223 -4.4975867 1.8350859 -0.513386 1.0071948 -1.2234013 3.5030289 0.3798497 1.0950603 -2.2915502 -0.47710288 -2.6304376 -0.114504665 -4.8799925 5.7261815 5.545383 7.5172114 2.7773874 -2.568813 2.2558973 1.705183 -3.0036 -0.5089502 -0.07456824 -1.0213485 5.501898 -1.9071021 -2.497264 -6.7564287 -1.3173664 0.84362525 -0.10484573 1.0234839 2.375094 -2.2574081 -5.2254763 0.08072302 -4.5344625 -1.347161 -4.2212543 -0.33737147 3.600217 0.024551407 0.8782297 -3.7735684 1.1451243 2.287476 -5.713741 -2.17694 -2.3678627 -3.8810384 5.0557623 -0.5840502 4.4542217 2.0896006 0.835698 5.829621 2.0004199 -2.6653333 -6.545781 -2.8575287 6.367035 -2.8790874 7.1506743 2.3638692 1.205798 1.9466815 4.7470527 -0.085642114 -4.414932 2.5831184 4.871526 1.2120392 0.21669888 -5.2907968 1.5455272 4.2642016 -0.6225107 0.6863222 0.74787426 2.5064993 8.568745 -3.838817 -3.3589373 3.83878 -5.6605883 0.4324721 9.271242 -5.0921926 -6.1711473 -0.38800585 -1.9484078 -0.3432443 2.7689466 -0.3443333 0.98173285 -5.3478155 1.6245661 -1.6713325 -5.7710147 1.0017024 3.7400768 -4.8199058 9.262321 2.7018025 -2.23509 -2.601946 0.882972 -3.8971808 6.4767165 -1.0033569 3.738923 -2.2250435 3.0234995 -1.4336035 -1.8794023 -0.04827255 4.3706927 1.3445163 -2.049086 -2.6866448 4.3771524 2.4358652 -4.819954 2.6078355 -1.0190648 -0.987469 9.536582 -0.32242462 0.009493399 -0.96903706 -3.3067083 -2.917423 1.9128548 -1.2385969 -0.16249716 -2.4707963 1.0122901 -9.6681 3.355606 4.4396276 1.1655986 3.9405694 0.60570633 -2.3821218 7.2270265 4.8984632 -2.3009582 7.435669 2.8603795 5.413633 4.3665524 3.4534914 -1.1784431 3.6884341 -2.730019 -1.7712972 1.5306718 -12.162302 -6.3101435 -1.7471644 -5.1011076 -0.8438489 5.336587 -3.1239963 3.615542 -2.5646234 0.16459821 10.396802 1.9392184 -1.2149248 -1.2365849 2.3205457 -0.82846105 0.9244528 1.3765067 -0.5363771 0.644938 -5.896144 -3.87462 1.3077028 -2.1895254 -2.0288925 6.025122 -1.5027673 -4.2520065 -0.29486012 1.3734031 4.1876965 5.913032 -0.6993736 -4.040805 1.5206289 1.8060389 -4.449656 -0.48398265 -4.985328 -0.73627764 -1.3447144 -3.5121727 5.2361565 -3.621355 -2.940731 -2.5179832 2.1081152 0.23850675 5.5299187 0.8247005 -0.08570305 2.0003664 6.3998756 10.26334 -5.5989056 4.24722 2.8618603 0.9731594 -1.1342659 -3.8662717 -6.454777 -2.1977623 6.511876 4.848492 -4.793937 4.228864 -0.8808629 2.4430265 -1.894782 4.7090287 -0.3100551 4.0041413 -3.1402776 1.6003857 -2.606494 0.60523874 2.1938412 0.7723421 1.2943532