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522341 1.0227152 1.5890783 1.0413636 -2.2985306 0.60184413 -0.66403985 -3.2184305 1.6389685 -2.4917448 3.2676265 1.8399532 -3.7783997 1.1437731 -0.885063 -1.3399733 -3.2220602 0.33733743 3.3463745 -5.986444 0.2362643 -0.73388696 -0.19605465 -1.3278816 -6.969514 -1.5448737 4.1495023 -0.70595276 4.8907905 -3.5886905 -4.384637 0.62853444 -1.8421856 -1.3357744 3.7705495 4.764946 1.5263479 -3.6296918 8.18136 -0.8433786 1.7077969 -1.232281 -5.171908 0.34411228 -0.8149096 -5.5734 -0.3881571 -0.99472475 1.7147509 -0.63768035 2.5091524 3.6438515 1.6763233 3.0672002 3.2473862 0.43379113 -3.6540194 1.5410193 -0.57395333 0.68376416 -2.6482172 -1.9716644 -5.648002 0.28999197 7.353345 3.4975407 -0.20210594 -0.35793576 -1.4677407 0.47338852 -0.6281609 0.72234035 -0.62217474 -2.3446925 2.9227183 -2.3486202 0.30356228 -0.054551043 3.3428588 1.0708939 1.5902708 -2.2493887 -0.35653496 -0.30565777 6.0464067 -0.32883918 -0.14565949 2.3991513 1.4028082 6.7459426 -3.0200098 0.70951515 1.7512513 2.1820223 -1.3055286 0.2224244 -0.71516824 0.45304435 -0.7597903 2.4591937 5.1760654 3.141286 3.2556105 -2.2607224 0.6858033 -5.274921 3.6932235 2.1449323 1.5672623 1.2605401 5.287364 -2.8077943 3.3103979 -4.1050596 -3.1747942 1.2762976 0.042001873 -1.5367222 2.3308687 2.29491 5.6377087 6.1074877 1.1856416 -3.1039326 0.15882549 2.200888 -6.7387047 4.3159623 4.5680733 0.7814162 3.678588 5.213086 -5.4273915 -1.3790264 1.018981 3.1862578 -1.5461094 2.3094554 1.5763838 6.505131 -0.01655706 -4.013673 1.4091518 2.8631945 1.6532428 5.331397 -6.398691 -4.940724 6.417 -4.818118 0.73681015 1.8877878 -1.7272202 -2.0287802 1.9195528 -1.9822433 2.399302 1.22558 6.226103 6.880098 1.3808903 -4.0077415 0.977121 -2.7131941 -2.9259398 3.6377416 0.73036826 3.1044755 5.0208254 -1.0602853 3.3477104 1.4780025 4.4573855 -0.12032089 -1.3799908 -0.5385246 -0.9953274 7.4178452 1.547139 -7.268194 -6.4448442 -0.21507092 0.97463334 -1.3659507 -0.020931497 3.1908734 2.9403768 -1.568116 0.57770246 2.966802 4.0979404 3.2566261 6.1485424 -2.9932423 0.041425727 -0.20610182 1.346899 -0.04548842 3.8853607 4.6591334 0.4402914 -2.466827 -0.5521158 2.2340891 1.6679801 1.6095454 -4.3874907 -0.53625286 -0.7807181 0.24783668 -0.8443341 -2.2409654 1.4120091 2.8099768 -4.8335676 1.055595 0.018848822 -3.6627893 0.9552224 5.034483 -1.7589632 -1.3869908 2.2542558 -2.005064 1.8535968 -8.599337 1.2587508 -2.751613 -0.63828737 -2.5670495 4.1991787 -0.4249454 1.9392196 -2.7468984 -1.8365545 -0.1429118 0.63791525 5.4068627 0.70490086 -2.9085479 -0.010567933 0.5410786 -3.209049 1.9165068 -1.7509335 0.97100943 2.0244176 2.416826 -2.2162492 -2.6562796 3.714907 2.6677637 -0.65460116 1.0532652 1.7434504 1.690828 -1.9479127 3.7331538 -4.911605 -3.851888 -3.3753326 0.3441459 -2.6295857 -1.1246634 -3.0970087 3.4532044 -1.0203718 2.4997532 -2.6870801 4.2284117 -2.2485607 -2.74951 -1.8998005 0.9715421 3.7889533 2.3745065 5.3153305 -1.8832334 0.01705125 3.333313 -3.0100315 -3.4540412 -2.284896 -2.8342571 -2.1544423 4.6669545 2.1860108 0.040375616 -0.8253344 3.5779924 3.507809 4.000709 2.687477 4.221695 0.011584264 2.5515532 -4.4954705 2.5199692 1.0075355 3.1741896 3.314476 Dodec-10-yn-1-ol is an acetylenic compound that is dodecane carrying a triple bond at position 10 and a hydroxy group at position 1 respectively. It has a role as a metabolite. It is an acetylenic compound and a primary alcohol.
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73062 8.498496 6.636192 -0.8314151 -2.4983122 -4.5275655 -1.2714596 -4.073385 -1.6559197 -0.4868561 7.425637 7.729532 -5.6625633 -1.5338337 9.486963 0.4993531 1.0233533 14.024583 -1.8122535 -5.5202947 5.5013757 -3.1141267 -7.274365 -8.692897 0.6364325 -7.093207 1.3464677 0.28050655 12.087437 -0.035964042 -3.106667 2.5539184 2.0694184 -1.9257494 5.9342413 9.3869 -2.1842132 -0.6677693 4.5641103 -2.9877098 0.18372133 -6.9009953 3.2611334 13.867651 -1.6184132 -2.0765102 -1.5313532 1.2578202 -1.8939661 -4.8957005 2.1772976 6.4738917 -3.849811 1.6994544 1.5446717 0.848998 9.774743 -0.16953455 8.646542 -1.1637936 -0.14760883 7.42265 -6.1857996 -3.4719718 12.536181 -3.2438686 -1.8883617 2.1400826 2.5582647 3.3982117 -3.3084803 -3.9907987 0.9401627 -5.1905384 -2.8353922 4.774472 -3.5723624 1.1829593 10.189592 4.2985444 4.784102 -4.7455654 -2.5886292 -1.3942777 8.156904 3.56223 -6.109814 1.8527782 -5.115182 10.070009 -3.1507442 4.245264 -0.30818105 -6.0030174 3.9214387 -3.171747 5.1821127 -1.3998408 0.9190463 -5.9630094 -1.7321653 3.0688384 -9.123824 -7.0249624 1.1702422 4.5145674 5.4415274 -7.127656 -7.687882 -4.1134624 8.332087 -5.6002293 4.3744917 4.8980913 0.70758814 6.728194 -6.03593 -0.4016779 -3.240682 6.05426 6.56125 0.0013118684 4.0708985 -3.8664064 -2.9912772 7.930075 -7.609268 6.515855 1.6879162 -1.6449506 6.1408753 -0.31883818 1.1372818 -11.061796 1.7251397 8.435262 2.8190799 4.2100263 3.2063112 9.204165 5.9253907 -4.2313104 -0.9552798 2.2697217 5.2709584 0.19747692 -4.8111043 -6.8690753 6.3730717 -3.045363 0.7271812 -6.484621 0.92367226 -5.2062173 2.8490906 6.0919724 -1.6143903 4.2277174 4.6649632 5.0573735 -3.4812257 -4.3768177 1.0843852 -5.4373765 -2.3300042 -11.287834 -1.3396759 8.665802 1.5489423 -3.39021 -4.5500793 -2.5052073 2.9516032 1.4690253 -1.528837 -2.4474566 -2.381319 -1.2090418 5.2838244 -1.7426331 3.470435 -2.6257505 3.5483751 -5.592239 1.6666883 6.0178947 -0.13115403 -4.3683887 -0.2334233 2.474794 1.4337124 8.248782 4.7891784 4.8650265 -6.8992004 0.7470567 2.043689 7.0570774 -1.7097836 2.845366 3.3116903 2.7326038 2.4948375 4.4183974 7.484666 3.1993577 2.8347223 5.013565 -0.45161211 2.731083 6.6577215 1.4442434 -0.74141514 -5.2140512 -6.312193 5.158007 0.82215405 -0.26693618 -6.6759453 1.4071361 4.2178774 5.7179184 -2.9901996 -4.289278 -0.71438193 -1.0486275 -7.377426 -3.5754046 1.1226351 -0.65271086 6.93272 -2.650862 -1.2129575 4.1523366 -2.9334838 2.1091642 4.8848457 2.5133035 0.34539706 -1.6640648 -9.722555 -3.7966647 -1.5577403 -5.3757296 1.5228305 -6.9491863 -3.412387 -0.73294806 5.6963253 -3.6724277 -4.0179195 3.0584295 2.0237079 -1.7050598 2.1411433 0.8165517 8.480293 5.8735685 -5.3145533 1.988603 -1.6615068 -8.307988 1.2314613 -5.295164 -1.5771705 -6.453086 -4.7278714 2.7848 -1.7621065 5.7724314 -1.6110313 -1.6061211 0.54716736 -3.3008363 8.721206 4.981296 -2.338326 -3.107005 1.0659242 -3.5618024 -6.3075914 -10.966951 -4.7182937 -1.6867793 -0.1595226 -1.7860274 -6.704766 -10.1261835 -1.4300135 8.014113 2.117021 4.1162 -3.657254 11.57912 4.670225 -3.4684138 -11.201331 1.4228909 -5.0281353 1.0671836 7.58063 Ent-kaur-16-en-19-oic acid is an ent-kaurane diterpenoid that is ent-kauran-19-oic acid in which a double bond is present at position 16(17); exhibits anticancer and anti-HIV 1 activity. It has a role as an anti-HIV-1 agent, an antineoplastic agent and a plant metabolite. It is a conjugate acid of an ent-kaur-16-en-19-oate.
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14522145 3.092204 8.566203 0.68676215 -4.1704845 -1.5539861 -6.8579607 -4.867227 2.9212732 -6.3667617 6.5985336 7.655404 -6.1680613 2.2464082 2.9867637 2.0628169 -3.604203 4.592716 3.9883885 -13.204263 3.9553418 -2.9926124 -4.817909 -2.2746153 -9.3419895 -6.2424088 6.6670995 3.0612803 11.421922 -4.1312323 -6.5167084 0.04117644 -4.678314 -2.1357787 6.5585113 12.856217 5.8483973 -1.2750331 8.647732 -1.7980399 3.7561026 -0.20970604 -5.168513 -0.12852061 -0.39909652 -8.900706 1.3180355 -0.8441615 2.5544624 -1.5992985 5.7064962 7.0254426 3.6551845 6.9679565 5.2233105 3.4158432 -4.73548 -1.251526 1.0823457 0.6853499 -4.697521 0.62673116 -9.343231 -0.11566588 11.075387 1.8987507 -0.3187652 2.65335 0.1500113 4.1869726 -7.929629 3.5308769 0.49244726 -5.697111 2.2752988 -0.5433346 1.9184418 -5.1328907 8.109944 2.4339004 1.3820894 -5.311267 -0.4838981 2.8295546 8.41936 1.9943626 -2.3464305 0.09598899 -0.23554286 9.687399 -7.189664 2.470052 3.19033 6.916433 -1.8092871 -1.5547383 0.307663 -0.4067374 0.25628537 1.6818204 1.7630737 4.7349167 0.27011478 -6.4863625 -2.135259 -3.7068985 5.609103 -1.5031775 1.7786157 3.3255842 6.680602 -5.5211296 1.0673511 -9.490814 -4.5465117 0.54598916 -0.29065505 -6.06271 6.053396 6.2445016 9.190011 10.634908 2.3017712 -0.3182907 1.0115091 7.538334 -16.7345 9.394091 11.436272 -6.0389457 8.096739 9.338068 -4.5764303 -4.892476 3.3332334 9.133309 -4.134407 3.2164507 1.4538574 11.882081 3.5836287 -2.2534804 0.59308445 2.5900164 6.5741587 9.531103 -12.894233 -3.8913188 9.145422 -8.532831 -0.58132493 -0.2549382 -2.0528948 -10.573602 3.2038066 -1.9486623 1.3407587 2.6944535 9.230447 13.477342 -3.6659856 -11.641849 5.1902366 -1.453051 -5.7775393 6.918699 0.24422365 6.7486353 8.819518 -4.225263 4.7219615 0.27987817 8.730524 0.23745987 1.3931522 -2.4536297 1.5295426 11.71098 4.654748 -5.8481474 -5.568735 -0.29131174 1.9863873 -7.642174 0.48649397 6.8348765 3.133318 -3.295514 -3.5117822 5.171482 6.209048 2.9167514 9.951326 0.20230195 -1.9907285 2.562148 5.580086 5.42185 3.4570107 5.4573236 2.0601077 -0.5542445 1.0452914 2.16319 1.8674293 3.787933 -4.6562376 0.33604562 -4.9055305 2.610675 -1.697383 -0.8873606 1.6407408 5.1537495 -9.444254 2.9701827 -1.6217055 -0.605896 -5.121744 5.927019 -4.431691 -2.7031558 6.092734 -4.0392513 5.639777 -13.914861 2.3611631 -8.547063 0.6602005 -4.263226 6.3295975 3.3550155 0.7892877 -0.12948984 -3.427376 2.3404572 -1.6045536 9.275986 -2.5839987 -8.196794 -6.845355 -2.8619688 -2.4119382 1.1918137 -3.540545 2.9691944 3.5177667 -2.18402 -2.5248513 -5.093566 7.5457125 8.52634 1.2470586 -1.7734185 4.088551 3.9233449 -3.4766576 9.125833 -4.424433 -8.850021 -3.9393277 2.763156 -5.0924034 -3.3101542 -4.072333 2.362053 2.145561 7.32973 -3.588815 7.859472 -2.8410902 -4.353536 -1.6963637 0.09065682 0.68861264 1.6384819 11.712627 -1.4002087 -0.4728741 6.171853 -4.004179 -6.652722 4.435625 -1.4537984 1.6009842 7.0077524 4.0879173 -1.738303 -3.0440664 8.506102 6.616105 4.7589025 0.14555423 6.704391 -2.032119 2.5787413 -3.7538428 2.8207388 0.6563007 2.3216639 2.5963907 (8R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,9E,14Z)-trienoic acid is an epoxy(hydroxy)icosatrienoic acid consisting of (5Z,9E,14Z)-icosa-5,9,14-trienoic acid having additional (8R)-hydroxy- and (11S,12S)-epoxy groups. It derives from a (5Z,9E,14Z)-icosa-5,9,14-trienoic acid. It is a conjugate acid of an (8R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,9E,14Z)-trienoate.
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5040063 -2.1822805 5.8265834 -2.9548726 -5.869278 4.2270007 -9.992239 -10.06804 5.939865 -7.0094776 2.6918833 8.280674 -10.836841 4.0939655 13.785561 6.338346 -2.9983397 3.7816565 2.5829582 -12.46131 5.0468745 -6.411699 -3.1344113 0.9657872 -11.649182 2.8387282 -1.6389546 -0.87579507 9.639768 -5.9387197 -3.8912451 -1.711366 -0.8071451 4.3753386 4.3300176 -1.6328262 6.47635 4.129462 1.7046075 0.059016265 -0.7738761 -2.7980275 1.8907105 3.845498 -6.2059126 -3.0283494 -3.090266 12.677029 -5.6741366 0.4455457 5.1327443 8.382851 2.8559847 3.5057464 4.5023704 -5.231182 -0.21496025 -6.5093155 -8.962399 -6.0272417 -0.70860326 -3.482523 -2.6468844 -1.6450824 2.0656474 0.52747965 1.5236249 -2.0650609 -0.343444 -3.3191168 6.2536497 2.5967598 0.6958392 -0.63417083 2.283476 -3.2051907 -2.7859125 -5.9182754 10.688701 10.189669 8.810684 3.8082683 -5.4796143 2.610687 -0.3925615 -2.578249 -1.5527463 3.1189811 -2.4102156 12.576721 -5.6415014 -2.4368432 -10.705066 0.361269 -1.1420205 1.8027704 2.290955 0.12766655 0.064594 -9.186933 2.3427215 -2.5068915 -6.1343603 -9.335102 -3.4707313 6.667852 3.1261086 0.6697708 -4.756948 1.2618897 2.084674 -5.0319953 -5.1776233 -5.932332 -5.21202 10.050677 -6.7963243 5.8210583 0.52726805 2.7074747 9.277231 2.815808 -1.3597299 -7.927565 -2.330722 11.472968 -8.127005 5.76618 9.514693 0.14821981 2.459814 7.4934096 1.66552 -11.095677 0.37348807 11.435701 5.4040594 -3.141034 -4.958528 4.355392 7.1312294 -3.0249894 -0.19372177 -0.75514543 5.6280165 14.157839 -10.084719 -2.7053058 2.6287217 -9.8376255 3.2479312 14.119549 -7.177533 -17.141842 3.178941 -6.1234064 0.4960988 4.64646 2.2470598 0.6463938 -11.3633995 -1.3965876 -1.1942888 -5.1148276 -4.7417126 9.547074 -4.6738 15.335959 5.2033167 -2.8606925 -4.9992123 -0.3719127 -0.2824851 10.281334 -1.0143516 3.9204512 -4.3397965 6.316838 -1.5329865 -7.84502 2.090253 11.40874 -1.7875566 -8.796786 -3.48548 6.7337813 -0.50360924 -8.549071 3.7999625 -2.796511 2.321403 11.327329 -2.5488846 -1.2429297 -2.4864037 -8.3153515 -2.0756192 3.65582 -1.9543893 -1.0070748 -1.6742835 3.3581085 -14.850133 1.5425225 2.1708944 0.04167223 2.2583096 -0.042766362 -3.0330572 10.939487 3.9230983 -1.9586785 10.453979 4.4927692 3.3917036 5.9414697 3.434174 -2.937022 4.643781 -1.7433628 -5.832544 2.5243902 -14.631297 -10.565302 -4.214432 -11.890295 1.3497307 9.649908 -5.942753 1.5638516 -5.926357 3.2878265 12.552093 3.5738947 -4.698313 -4.4115424 0.61035794 -2.9957762 1.8097154 2.5866988 -1.2109649 0.38242057 -7.8040476 -5.774454 0.69507205 0.051026136 -3.801809 6.4951153 -0.046490647 -5.7704797 4.2574263 2.8385832 8.970041 5.3939 -0.24457255 -6.7504015 -1.261238 5.4316382 -6.2295856 -0.89346313 -10.245952 -0.48034644 -4.357501 -9.848425 6.5331407 -10.223896 -1.1732092 -2.5739734 1.1375741 1.5377645 7.747838 4.3208885 -2.665405 0.43869328 12.496287 14.25973 -6.006754 4.4853806 7.3493476 1.039172 -0.4000454 -9.356866 -11.047538 -6.958882 9.998059 5.4548235 -3.8221087 6.953793 -2.100487 7.5933156 0.13956669 2.372793 2.9410424 9.6206 -4.3531017 2.91519 -6.5554237 3.4497461 0.12305495 1.4600459 5.0390944 4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol is a pyrazole that is 1H-pyrazole bearing three 4-hydroxyphenyl substituents at positions 1, 3 and 5 as well as a propyl substituent at position 4. Potent, subtype-selective estrogen receptor agonist (EC50 ~ 200 pM); displays 410-fold selectivity for ERalpha over ERbeta. Prevents ovariectomy-induced weight gain and loss of bone mineral density, and induces gene expression in the hypothalamus following systemic administration in vivo. It has a role as an estrogen receptor agonist. It is a member of pyrazoles and a member of phenols.
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1595403 -0.18834537 2.1437435 1.4680908 -4.7356644 0.21896876 -5.889535 -1.0444758 2.9333735 -1.9038517 1.9347484 2.7179966 -3.5549338 -0.0970622 -4.1322427 -2.0729856 -3.778973 -1.4391191 -0.7090887 -3.726592 1.3694265 -4.860361 -4.3292365 -2.8028986 -3.7608204 -0.69888884 2.3170931 2.7889972 1.7685504 -1.7996604 -4.538491 -0.77417654 -4.878699 -0.40574864 3.3808978 2.33372 1.4714892 -1.9000673 3.4395764 1.7143307 5.8415284 -2.730927 -2.0606704 -0.86724746 -0.10048576 -5.154662 0.77065754 -0.1744066 1.9182329 -2.546272 3.8396528 4.274296 1.0721147 2.068219 2.6551213 2.819624 -0.59294206 2.6600432 -0.36117342 -1.4647825 -1.1014663 1.3410733 -0.70346904 2.7337284 0.21905048 -3.2559888 2.8233747 2.9122934 1.3844343 0.7007247 0.33675975 1.2636287 2.9434385 -4.4495153 -0.8038162 -3.0939877 -0.8140573 -2.6402636 -1.2799251 -0.14183953 4.2741623 -4.235131 -4.3608923 -3.3965273 2.9548392 3.4372025 -2.2185428 0.1987488 3.7699785 0.7184749 2.0796077 -0.9433832 1.7570755 -1.6084524 2.9138181 -2.6579776 0.56014323 0.9095545 -1.145678 -2.4950378 -0.28885773 1.8343028 0.9263737 -2.7486465 -2.4707386 -0.78707695 -2.4845684 -0.32291824 -1.6357303 -0.24490975 2.865037 -3.1675446 -2.0680845 -2.6313574 2.0552359 3.0205896 -0.9193478 2.4734502 0.9963434 1.6340358 2.062525 3.046554 -1.6946257 -2.9317546 -1.499562 1.1035634 -3.6943257 5.644147 5.599801 0.6127825 1.1148171 5.2217116 0.31268647 -2.8584197 4.0703907 2.3062804 -0.43694076 -0.46000695 -0.53623056 7.677414 -0.09674591 -0.1540572 -2.3314333 1.1267471 4.296361 5.06258 -3.886112 0.3783191 3.8308778 -2.5964334 0.22659397 1.4129395 1.2881379 -2.9052825 -1.2610714 0.11400058 0.18564713 5.40181 1.8472786 4.1608324 -1.273447 -6.252432 0.5060677 -1.3912872 -4.0835223 1.416868 -5.4047303 5.1195774 2.3355396 -4.540205 1.6170039 -1.1305153 3.0352259 1.5752205 0.50889707 1.146899 -2.276097 5.1938996 4.6745195 -3.1502562 -7.0363674 4.043798 -0.5527059 -2.6326604 1.7367647 1.8863171 0.17016008 -2.7632735 1.0595341 2.9102442 3.8209841 6.0774107 5.75802 0.5821621 -1.1581529 -4.4788513 1.2315946 1.9507376 2.6979184 1.7085549 -0.5992592 -5.1283956 -2.0232844 1.2616534 3.7212687 -1.599607 -1.5217365 3.213004 2.8036518 2.218717 3.6808448 -0.18438192 -0.34862307 0.22954139 -1.0039185 1.9368616 0.9885669 -4.7865434 -1.525414 1.9342581 1.1059806 1.0220209 2.6375072 -3.033243 2.1037679 -5.2266345 0.22986054 -1.1189557 0.047754362 -4.8902755 2.4176927 -0.6918251 1.3237783 -4.9774117 -1.4285688 2.2183425 1.8479024 4.509397 -0.96781087 0.044830516 1.4789609 3.6061072 1.6601646 -1.2353922 -1.133692 1.4448856 -3.2225876 -0.42207053 1.6510245 -2.731808 1.529887 5.0124145 1.3465889 -1.4954782 2.4944115 -0.9288989 0.98682725 4.128792 -3.7773366 2.1421335 -1.9688109 1.902703 -3.700335 0.7989163 -0.55471486 1.6049905 1.0491961 0.98288435 2.7718167 4.8847513 -1.5846251 -2.4557114 1.8392363 3.462465 3.4414735 3.6296868 -1.2996883 0.31139582 -1.0134345 -2.303424 -1.1635828 -1.9496977 -0.49495187 -1.2962507 -0.75969535 3.8602383 -0.6412543 0.7204644 0.5277329 1.6187034 -2.2365167 7.4498267 -1.0577748 2.1995258 -2.293116 -0.64242554 -4.5869193 0.44861573 -0.08419621 3.6224399 2.009923 Gly-Asn zwitterion is a peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Gly-Asn. It is a tautomer of a Gly-Asn.
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131204 -0.16649844 1.9913015 2.5294023 -3.7287042 -1.0985316 -3.287591 0.115134 1.764331 -1.8033016 4.150058 4.2582846 -1.7988639 0.3141405 -0.34653854 0.4081938 -3.1196036 2.8231187 -0.45442528 -7.365821 2.0450788 -5.068576 -4.5571384 -1.7893169 -6.450807 -4.1503196 1.6921797 4.290268 4.685825 -3.088945 -2.8756142 0.3162902 -1.14798 0.171747 6.376349 3.3779542 4.635004 1.3153272 4.595913 -1.7662095 4.414384 -2.924115 -1.8463528 -0.55878776 -2.0548146 -4.017537 0.9976954 2.25411 1.0421354 -1.1073291 4.471066 3.509883 2.0972977 2.5079076 1.1559982 3.2190099 1.5654976 3.274019 1.7596428 0.23835671 -3.5334945 1.6039921 -3.159938 3.9835854 3.9725552 0.18703777 -1.7754726 3.044886 -0.22440895 0.10138162 0.259684 -0.3780041 3.1959584 -4.4097753 3.101494 -0.3864116 0.32222864 -2.342652 0.6497986 1.7642685 0.55929196 -3.1197581 -1.8386558 -0.6453595 2.1363387 2.899668 -1.6036065 2.122797 2.8056452 5.3051176 -0.6092632 -0.98825336 -0.7805412 1.4698658 2.2596245 0.3397626 1.0880051 2.10084 1.9836049 0.8361346 2.9359097 2.847991 2.358036 -0.7974607 -0.98193127 -0.9653373 0.16179532 -2.6352627 3.4940066 2.0825353 5.7626977 -5.472601 -2.51752 -3.9542408 -2.5209255 1.4511474 -1.0293807 -1.6315947 1.1551192 -0.022168994 4.4409604 3.2521467 0.057819635 -3.4883506 -0.8595454 0.3191874 -5.4431415 4.4074984 3.7043025 -1.1059663 5.9153323 4.1040273 -1.4397044 -4.3439484 2.8923857 4.4853663 -0.18699735 -0.5895055 1.1308396 8.497963 2.0859404 -5.204937 -1.8446386 2.7482464 4.040427 6.664135 -8.43536 -3.1576881 4.683839 -5.3123803 1.700908 2.1884968 -1.2382894 -3.4585042 3.815386 -1.9717851 1.3904718 3.7946908 4.458232 6.353389 -2.2449095 -3.1803315 0.11630164 -3.3718305 -3.8651133 2.0323615 0.25608912 5.8328114 3.2078834 -3.917845 0.6629572 1.3922291 5.0630784 0.8020081 -0.908617 -0.062374286 -1.9102175 8.117252 6.0575304 -5.324498 -4.0479736 1.8401458 -2.4561024 -2.9833906 2.5859551 2.0894923 0.29881838 -0.038382024 0.47307044 2.2676528 1.1689056 2.1681457 3.8898654 0.6953979 -0.42155278 1.5393138 3.6676896 2.1678674 0.012193615 1.1302744 0.42088738 -1.548513 -1.6233778 2.7001872 3.8110218 -1.7050011 -0.89213336 0.29597422 0.289518 2.261534 1.880748 2.394732 1.7123606 0.21002719 -1.5489881 0.932339 2.313752 -4.0416436 2.6247241 3.6073945 0.42265314 0.78338826 1.7882245 -1.3486512 3.4818494 -5.37841 -2.2825406 -1.6058547 3.8602755 -0.11967203 0.8633229 0.096108496 2.4351194 -3.082807 -1.5031359 0.7436792 0.21018219 2.981665 -0.2676589 -0.5881806 -0.79874325 2.241962 2.162986 1.3306818 -2.1223776 3.3465397 1.4572761 0.45521235 -1.208952 -2.4213903 2.464417 5.136496 3.146582 1.2360928 1.95235 -1.7328546 -1.2227204 2.736026 -3.5424273 -0.10432556 0.6538242 -0.4302555 -2.7223825 -1.8431147 -1.8734559 1.5117816 -0.4393604 4.8536034 1.575709 5.454069 -3.144081 0.3092364 0.09837 1.1626949 1.5533217 4.956929 1.4292126 -2.4428315 -0.8339727 0.71880186 -0.059407428 -2.8451965 0.13347343 -3.0431266 -0.0068754703 6.159438 -0.88824916 -1.6912215 0.6574751 4.6294384 1.7726706 5.0611167 -0.32812294 6.1605363 -0.91499007 -0.6277771 -6.99571 0.6226499 3.523926 4.2344904 1.7924926 Pantothenol is a monocarboxylic acid amide that is 3,3-dimethylbutanamide substituted by hydroxy groups at positions 2 and 4 and a 3-hydroxypropyl group at the carbomyl nitrogen. It has a role as a cholinergic drug and a provitamin. It is an amino alcohol and a monocarboxylic acid amide.
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86289780 1.3387412 3.4280598 0.83886975 -4.214271 0.67516184 -7.419654 -1.1140563 3.4043431 0.9641114 3.2256415 1.554348 -5.1424084 -2.9519615 1.5197256 0.3056686 -1.3053404 2.1423252 0.84227693 -13.100374 3.4708502 -5.112593 -8.278811 -3.430322 -9.061875 -4.660989 5.216228 0.5059355 7.848603 -2.7824073 -4.575783 0.8213323 -2.8728442 1.0006477 6.404244 9.3399 3.7928069 -4.459267 11.914811 -2.286363 3.7587245 -6.167661 -3.1130638 0.74683285 -0.44545063 -6.3194795 -0.80320525 -1.2127861 2.6407232 -0.088418275 9.691708 5.497784 -0.17911643 6.2078905 2.5404243 6.5896134 -2.8671334 -0.4043484 2.3650463 -0.08528284 -1.6989315 -0.114813775 -7.724066 0.72393894 10.044075 1.3146826 -1.1421309 0.6840716 1.0357627 2.2219417 -4.3181934 0.22099766 1.3264824 -6.1997976 5.352218 -0.44756866 -2.5039837 -5.9648256 7.219056 0.7601147 2.5214715 -8.176282 -4.2395744 -0.25914475 4.700025 3.267564 -2.301647 3.4250398 1.9479992 9.359249 -4.8492417 0.46272522 4.0884953 3.5844126 0.11019263 -0.6632885 -1.7919408 2.6971052 -1.0706782 3.1666236 2.0529351 5.7432165 1.5402195 -6.329675 -1.7732006 -0.9737691 5.389497 -1.0212096 -0.34947366 1.593754 7.7741585 -5.509331 4.3868113 -2.570243 -1.0061532 5.6152387 -4.1970644 -1.0613904 3.845068 6.003771 7.1733346 8.279337 3.274161 -8.032472 -2.1101732 3.6919754 -14.752738 8.7972765 7.2684727 -4.3288155 5.292017 6.0700383 -3.3626454 -7.424946 7.042075 10.138963 0.6001596 4.8355594 1.8051248 12.135176 4.5860653 -6.4917736 0.9774038 0.15532723 4.336878 11.950918 -10.259337 -6.7466316 12.132053 -8.893779 2.1477118 4.876115 1.4986565 -6.4973927 1.9599112 -3.9757705 4.3056197 9.9810095 9.222876 13.975904 -2.582877 -12.576308 1.2109048 -6.2629657 -4.028971 4.3760433 -0.3629072 11.990254 8.910894 -6.496604 3.7812521 5.360871 8.072834 1.2831502 -0.24976149 -2.3096218 -0.7808396 12.304533 6.9648533 -8.052547 -7.227236 -1.2778682 0.62923914 -6.9918427 1.4693426 5.16453 2.0283778 -1.55552 -2.3777833 3.370542 5.142821 4.9173594 9.492928 -0.5279982 0.100630075 -0.2935157 3.2979772 1.4408194 4.8411107 4.4415298 1.954586 -4.7082343 -0.21300271 4.3663316 7.2313843 2.5027125 -5.1332693 -0.35194907 0.0044747237 -0.6993732 3.0017614 -0.8070471 -1.2026856 -0.4630959 -7.622296 0.009978116 2.1421654 -4.505319 -1.6916466 5.275372 -3.6533663 -2.4599783 3.0167787 -3.764413 5.6486106 -11.817137 -1.805963 -6.0679035 1.8937058 -2.3148184 4.5034556 0.6543103 1.3826977 -2.4588103 -2.0677278 -1.3596249 1.1148245 10.530441 0.75028145 -6.539086 -2.1060843 -1.6695045 -2.464513 0.5318253 -0.68069875 4.678491 1.5329778 2.3653793 -2.8249435 -2.9049141 1.614299 5.6701283 0.21791355 -2.872805 3.0798967 2.4275432 0.9209227 4.896546 -9.19391 -5.8286395 -1.653935 -2.6313736 -5.094939 -0.50580674 -2.652137 3.2498586 -1.8360758 2.6930146 -4.115334 6.77109 -2.3703415 -3.8934407 -1.2932408 2.4343603 0.9615202 5.147348 9.624559 -3.2707105 -5.631653 3.894691 -1.1932554 -3.4591942 -2.4950855 0.23837088 -1.9451622 6.226787 -2.4417605 -1.7517487 -1.9033946 8.049847 3.6581426 5.20909 -2.113207 9.626715 -0.6643442 2.4765506 -9.554312 3.0487251 -1.8550323 5.1250615 5.268796 Oscr#20 is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 12-hydroxydodecanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a monocarboxylic acid and an omega-hydroxy fatty acid ascaroside. It derives from a 12-hydroxylauric acid. It is a conjugate acid of an oscr#20(1-).
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473 -0.31504396 1.7143357 0.60171586 -0.5533345 -0.30146375 -3.454451 -0.78648293 0.53676635 -1.718126 2.4654663 0.5808805 -2.4831743 0.8188715 -0.43076345 0.36036158 -1.0133 1.433288 -0.9940139 -3.6374965 1.879897 -1.8012351 -2.886746 -1.6978781 -4.5472364 -1.2130063 2.4076211 1.3433207 3.6719751 -1.921207 -3.8433616 -2.0488477 -1.5365143 0.42772076 4.005781 1.7855027 1.88397 -2.2517173 3.2995036 1.2104404 4.3289285 -0.8488323 0.1495329 1.0469605 1.3150245 -3.2784033 0.16261518 0.6684448 0.45196837 -1.1634096 1.3981414 2.432714 -0.0068618655 1.310533 2.477708 2.7542892 -0.122425534 0.7928473 0.14961886 0.19857761 -1.0594019 -0.6414561 -3.0182047 1.0768415 3.5178056 -2.5709398 0.5283193 0.5704185 0.88568676 -0.3038436 0.5846052 1.5384787 2.4290087 -3.035575 -0.15405618 -0.8688337 -1.6521251 -2.5526316 -1.2825732 0.012252219 0.5213273 -2.3807104 -1.2803721 -0.86389446 2.4075835 1.3735927 -1.7851181 -1.5668265 1.1786668 0.4650163 -0.013880383 -0.58184576 1.9524487 1.1886346 2.8224592 -0.69089055 -0.36540583 0.57896686 -1.8262221 -0.58243746 -0.18740542 0.67016286 0.81141394 -0.84851706 -0.6678101 -1.2204119 -0.4725739 -0.9299767 0.36403278 0.0086914 3.230772 -0.17518914 -0.74888504 -3.339057 -0.3486781 -0.8806087 -1.1031632 1.2417018 1.837874 1.4189252 2.1087127 0.0229097 1.1157647 -0.5661742 -1.0958602 0.30361998 -1.660853 4.0013895 2.069283 -0.89652324 1.4491668 2.4282029 0.37587044 -2.7621682 2.7982519 1.3992603 0.2741695 -0.5260601 0.65880656 5.110274 1.6899195 -0.61669505 -0.09251918 -0.41552335 3.4280457 4.240119 -3.442097 -1.3192267 2.4215038 -1.5773531 1.3194095 -0.5088942 -0.10562435 -2.5538108 0.4076341 0.13363849 -0.14715445 2.0552976 2.0691829 3.8336377 -1.6669586 -5.5274024 1.3525912 -0.52026814 -2.539499 0.55589217 -1.9089061 3.3562703 3.4940796 -2.995741 0.9134104 -0.3465346 1.427254 0.78657156 0.8517119 0.34437346 -0.8074004 4.5293927 3.2222798 -2.2286434 -3.533868 2.417788 -1.4582082 -2.225947 0.60115325 2.1132967 1.1403538 -3.42465 -0.70743084 0.8961895 1.3416643 2.987463 2.4306223 1.3746836 -1.7137384 -1.5882034 0.8878385 1.2148801 1.018246 1.717899 -1.1664639 -3.0634012 -1.3270828 0.5746 2.6479585 -1.8867838 -1.2025963 1.7211571 0.5140651 2.1512542 1.1370485 -0.31170487 0.8849151 1.208469 -0.9859737 3.6895344 0.4894385 -3.3317437 -0.97359437 2.698977 -0.24140224 -0.45843846 2.6273096 -2.2506356 2.0525494 -5.2267537 0.93249184 -0.32780382 1.6793182 -1.5773624 1.1992905 1.2910552 1.7681966 -2.996992 -1.7782514 0.38891357 1.0401802 1.9420314 -0.752139 -0.9215949 -0.42083648 0.9658201 1.3202809 0.81267375 -0.62047553 0.036074903 -2.916766 1.4081608 -0.9292028 -2.032796 0.15264179 2.8948677 0.22025414 -1.1739975 0.8832825 -0.4013327 -0.26644298 2.946081 -2.3953846 -0.64317733 -1.272559 1.2150822 -3.2490773 -2.3268821 -2.4690967 0.05642204 1.0193722 2.7800221 -0.3988289 2.8558836 -1.4968737 -1.190506 0.21444361 3.1317499 3.3712924 2.0256805 0.00012730062 -1.068713 -1.414278 -1.0239495 -1.8322527 -1.7647203 -0.0052561387 0.19080135 -0.32326847 1.32623 0.2350924 0.931333 0.56296384 1.4524554 0.6725608 4.9145823 0.098632425 1.3038211 -1.1205709 0.082632616 -1.8922975 0.7072968 0.2574024 2.8977025 0.83570313 4-methylthio-2-oxobutanoic acid is a 2-oxo monocarboxylic acid derived from L-methionine via the action of methionine transaminase. It derives from a butyric acid and a L-methionine. It is a conjugate acid of a 4-methylthio-2-oxobutanoate.
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161671 6.080096 6.4196897 -4.2936444 -1.7176019 -8.721756 -5.9953785 -7.8673477 0.44771203 4.3177624 11.459375 6.686296 -5.2355685 -0.29084423 16.685686 3.5485644 -2.6994379 15.833337 -2.0773735 -16.790472 6.077767 -5.3845367 -14.170791 -8.915597 -0.6832746 -10.38635 1.453474 1.661485 18.67969 -1.166853 -7.817916 1.3747813 0.7291944 1.1387769 9.912494 12.31227 2.048578 1.1902559 4.5907483 -5.231814 -2.1048255 -4.3447948 4.284667 13.494332 -6.417417 -1.6265076 -6.188506 4.779196 -2.9837277 -1.3928839 7.4680285 9.318994 -5.748515 9.407461 0.2845889 3.4679406 9.68983 -1.2208421 3.232073 -1.8193219 -0.34113857 10.433205 -8.507127 -5.1709476 11.782509 -4.3906245 -3.1599548 4.870408 9.279401 3.0273933 -4.4269123 -4.112914 3.5997682 -8.10431 -0.40919042 6.305973 -5.0459237 -4.177727 12.77179 6.83568 7.11686 -2.8064327 -1.9864534 3.3009384 9.207115 2.3928413 -8.23299 6.5333166 -5.318619 13.730186 -7.1861105 3.60909 -1.9624097 -1.4273368 1.4078476 -3.7562702 7.206828 1.7847568 4.4102516 -3.9970765 -2.993886 -0.05498758 -12.364292 -10.7970085 -0.06801149 10.534666 5.127814 -5.1998973 -7.139446 -3.9656422 7.0334473 -9.573594 2.0304127 3.1303718 -3.7744844 9.74924 -5.279091 -1.1578017 -2.282782 6.8046145 8.730729 3.0926895 1.8293762 -5.2523465 -4.7897534 8.031643 -15.409369 12.568814 3.9084332 -5.1381493 12.936617 4.720185 2.646253 -11.598351 2.9739652 14.116762 3.5760336 7.140804 6.139994 8.79228 12.304244 -6.226298 -1.8710158 -1.4924357 5.8083997 5.7521963 -7.3162694 -8.181591 7.0339193 -7.7550697 -1.4630866 -1.062932 -4.671275 -13.697658 4.501102 3.5096548 -3.3716786 8.054481 6.126472 5.1333237 -6.7757616 -6.859247 3.4068651 -8.202694 -5.791394 -8.732941 -1.0728258 14.430188 6.505578 -9.27815 -5.4418583 0.49716902 7.1986327 3.6020327 0.47635886 -2.8682902 -4.2296805 2.819675 10.525202 -0.6884153 7.1247168 -1.8334066 5.0367637 -10.440465 -1.4645832 3.1647294 -0.96515214 -6.0509934 3.459317 4.0632167 2.2028778 6.794707 6.643556 3.7960165 -4.7186685 4.054085 2.362706 8.493312 -2.2744322 3.0836987 5.595202 2.3880472 -3.7534094 4.149481 10.185723 2.7875767 6.4980927 3.7525895 -5.2800555 4.5919423 5.6890006 2.7797036 2.6560636 -3.6994214 -6.8969517 2.1330988 3.0238233 0.5715075 -0.8704145 -0.1328099 0.3583164 5.405032 -11.977984 -4.390566 2.011437 -2.7949374 -9.6849 -1.094666 -0.11012586 2.5144103 3.230027 2.9422617 3.899705 8.440901 -1.673844 1.121031 1.3104951 5.0200925 1.587966 -2.2016544 -11.63904 -5.2590456 -3.2765946 -8.899747 1.747221 -4.290991 -3.2203948 0.37400705 3.1168957 -6.010617 -8.6018305 4.313289 5.0116205 -2.1566467 4.5982976 0.7075884 7.918425 6.328739 -4.5256534 -0.35731587 0.9617889 -7.4605575 1.7177804 -5.272456 1.1792973 -7.865112 -4.752712 2.2677789 -4.266012 3.5434313 1.5682985 -0.823591 -2.0481155 -4.514972 6.9471884 10.096432 -2.8144064 -0.77416265 2.7158082 -1.2238313 -5.5662227 -13.342685 -4.498214 -1.9884852 5.5151854 3.834312 -9.08981 -15.053446 -0.5047632 13.256229 6.282019 1.4044782 -2.229425 19.096231 -1.0430303 -4.095608 -15.712205 5.8878264 -1.9754375 0.9692646 7.6542387 Withanolide D is a withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 22 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Tubocapsicum anomalum and Withania somnifera, it exhibits cytotoxic activity. It has a role as an antineoplastic agent. It is a withanolide, an enone, a delta-lactone, a secondary alcohol, a tertiary alcohol, a 4-hydroxy steroid, a 20-hydroxy steroid, an ergostanoid and an epoxy steroid.
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160434 0.84824586 1.957926 1.0063236 -2.2275457 -2.1873384 -4.8601127 -0.04715097 1.7394366 -0.7206476 1.4305743 1.4226173 -2.0786521 -0.116783515 -1.4521103 -1.6740204 -1.9751514 -0.96072024 -0.43431756 -2.9374013 1.5243984 -4.204005 -4.3344574 -1.7380286 -3.2885325 -1.3013787 1.2081492 2.1838944 1.8495088 -0.7814288 -2.9893336 -1.6587572 -4.009196 -0.23322852 1.8913517 1.777232 1.3226484 -0.22719277 2.5577345 -0.36085537 5.109422 -2.1793952 -0.84928465 0.5819992 0.2293256 -2.1861858 1.2489552 -0.0104332585 0.27033696 -1.8515278 1.5130792 3.8226557 0.9974896 1.8097659 2.4433255 2.1972318 0.37900326 1.8019574 -0.41255456 -0.9614928 -0.10481194 0.66816163 -1.3806747 0.8576407 0.75403714 -1.0151125 1.1059926 2.4092267 -0.11101154 0.9975766 -0.76515925 1.8017846 2.272451 -2.7488797 -0.8970672 -2.8751237 -0.87995446 -1.7916934 -0.75069964 -0.25839463 1.3463405 -2.1128194 -3.4564834 -1.1715256 0.20414932 1.4511197 -2.0627306 -0.61422276 3.2001808 0.23233742 1.1257381 -0.65176857 0.6881206 -1.237884 1.273596 -1.5536855 1.6599255 0.7286279 -0.690989 -1.7918521 -0.4652745 1.9712214 -0.5687671 -2.0248501 -2.8867037 -1.7929504 -1.0898249 -1.5410955 -0.4433163 0.033139575 1.0833223 -1.5992422 -1.3084692 -1.9607445 0.76263726 1.7482817 -0.49211562 1.46176 0.13363323 1.6575344 1.3610038 2.8267324 -1.0580647 -2.1498327 -1.6339725 -0.14634211 -1.6623994 2.7403011 3.9704206 -0.26679236 -0.054103345 2.8831396 -0.06096804 -2.5742753 1.1952038 2.2630668 0.64096147 0.23161143 -1.0689739 5.376947 -0.41620952 -0.6344626 -0.44095135 -0.42718232 3.3373818 3.8988256 -3.428053 0.5840263 1.5498724 0.43312728 0.61942416 0.04029698 0.48134848 -3.4107358 -1.1005465 0.80897796 0.41969526 3.7322009 1.2669338 1.9967326 0.15408638 -4.105885 1.5286028 -0.11154944 -2.761091 0.6589761 -3.5451272 3.0896113 0.8822336 -2.2717052 1.5574403 -0.24610785 2.647071 1.121206 0.45532694 0.21526468 -0.55068105 3.2211504 2.935175 -0.4143908 -4.166096 2.7392287 -0.4375386 -2.8677323 1.2459905 0.93073905 -0.72271556 -2.4548905 1.2433577 1.6408504 2.5729554 3.6551528 4.2326293 0.45024592 -0.27852026 -2.5613058 0.96001065 1.6019757 1.430767 -0.1840706 -1.8055751 -3.140978 -0.13331145 1.4071269 2.5044167 -0.19830084 -0.6819422 1.351492 1.115541 2.1369846 2.173705 0.3494712 -0.90723974 -0.19540125 0.13580829 1.6576247 -0.48088878 -3.386194 -2.1167088 1.1809723 0.36917034 -0.016917616 1.4712944 -1.5876081 2.1071723 -3.9669368 -0.7047044 0.08997178 1.1940422 -2.507796 0.8439187 0.24426955 1.8399007 -1.6823924 -0.8912807 2.0029898 -0.6813378 2.4352636 -1.1871642 -0.8105879 -0.09755501 1.89247 0.40478557 -0.6024601 -1.0155286 2.7926598 -1.3734459 -0.49360266 1.5182155 -1.6937063 0.010722816 3.2473097 1.6588001 -1.2467929 1.9410121 -1.2695556 -0.12928528 2.653109 -2.0786517 0.65001696 -0.53194207 1.6178901 -2.4340527 1.019117 -0.8797672 -0.4010626 1.6863468 0.3802119 0.056827947 2.770446 -1.8348637 -0.3803578 1.0402732 2.520757 3.2230475 2.7636373 0.601754 1.2358525 -1.3674126 -1.8900799 -0.9315788 -1.7815311 -0.026426822 -1.2288436 -0.5976216 3.0003142 -0.38521138 0.71638983 -0.4446756 1.2840039 -0.5341517 5.243307 0.5459206 2.3419397 -2.5955503 -0.9029747 -3.1265333 -1.0706794 -0.12353602 3.565753 0.95757264 Malate(2-) is a C4-dicarboxylate resulting from deprotonation of both carboxy groups of malic acid. It has a role as a fundamental metabolite. It is a C4-dicarboxylate and a malate. It derives from a succinate(2-). It is a conjugate base of a malic acid.
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54672240 0.22598156 2.0019267 -2.0576386 -1.9956179 -1.8795873 -1.8436913 -1.1636838 1.4597626 1.1834279 0.4271844 5.6835914 -5.8901696 2.0622942 8.069952 3.402954 -1.5233004 5.9866185 0.15990856 -8.98682 2.0108342 -0.91752887 -6.0240426 0.5932691 -2.580416 -0.4959836 -0.787491 -0.41647148 7.586888 -1.8445882 -3.4483485 0.5808669 -2.454069 1.8127245 5.494639 2.4404752 3.7594256 -0.6005552 3.058176 1.1462173 -1.9737877 -0.02918826 0.3033828 0.9944231 -7.6959524 0.24473079 -2.5294824 4.00675 -2.2812757 2.6414714 4.471087 3.6113484 -1.1008713 2.950641 4.519708 -0.8032228 2.9286852 -2.8923097 -2.281648 -1.2602097 -1.7318016 -0.024502873 -3.5960379 -1.5122482 4.852226 -0.52582544 -1.5139053 1.9883734 2.765398 -0.6076537 2.730534 0.7308711 -2.4470775 -2.3146603 -0.003686875 -0.42401385 -2.411634 -3.4603612 7.544535 5.64655 6.303224 -0.14078689 -2.5141568 0.4854794 3.3076231 0.6470915 -1.8580819 0.06645244 -2.6701112 7.24646 -2.912907 -0.9692189 -0.8225993 -0.16246103 -0.9093795 0.95976925 3.6230793 2.6841242 1.8646703 -1.323054 0.022867188 0.9399817 -6.219659 -5.633674 -0.81618166 2.0360742 2.4523706 0.7063683 -3.5891557 -0.006516408 0.37446922 -3.3892343 -0.21997207 -1.986978 -1.5259873 3.5830908 -0.55006045 0.5674122 -1.8416852 2.2388377 4.742488 3.4639893 0.76909614 -3.5007267 -1.9701356 4.747423 -6.6971526 4.9167495 1.4545538 -2.2582438 3.906303 2.684389 -0.527913 -6.742271 1.2004958 7.87751 3.7487366 0.08102061 0.8089584 5.674142 6.6811004 -3.4676683 -1.4541439 -3.7134423 1.933481 5.1948175 -5.930856 -3.5818977 1.8774203 -4.3237977 0.37497705 3.3471358 -1.0177379 -10.866506 2.6866844 -1.6948022 1.3021277 4.221813 2.6077323 0.7584229 -4.8799543 -3.1719246 1.2535256 -1.9298311 -3.2164166 3.9920933 -1.9835317 8.573002 5.147189 -4.128182 -2.5167918 0.23687817 4.046466 3.4677892 -0.8290084 -1.017529 -1.2093375 3.4482372 2.358665 -2.4790237 1.5810087 0.9682315 -0.76173604 -6.012843 -2.3579645 2.6567726 -1.193748 -5.581296 4.585087 1.3925399 2.2713404 2.8486056 2.7828329 0.36227426 0.06425297 -1.4921025 -1.3402221 3.4616446 -2.268331 1.0416964 -0.39019912 0.1437113 -4.2350245 1.8916459 4.137507 -1.3491038 0.24918759 0.062377926 -1.9288316 2.9818263 2.0585485 -1.7247642 4.1211042 0.6758954 -3.4835894 1.8874428 -0.88337404 -1.0789053 2.706005 1.6419725 -0.34772488 1.798821 -4.6789713 -3.1748593 1.8720315 -5.199964 -1.7483425 3.3673062 -2.2937148 1.571395 -2.7655988 3.992441 5.9977336 2.1644566 -3.1791446 -0.73776567 0.5286479 0.5629555 0.031775914 -1.0609025 -3.0923245 0.05814077 -2.6509814 -3.7919703 0.29992217 0.47484156 -1.7035989 2.6663814 0.046843994 -2.246934 -0.7914809 1.8198512 3.3882797 1.4914205 0.48176274 -0.9277493 -0.05159481 2.4809017 -2.8995485 0.16107222 -3.578216 0.047833547 -4.007936 -3.2734048 1.7935684 -2.3044667 0.9205525 1.0980084 -0.6806833 1.4806674 1.677133 2.556682 -2.5113316 0.69486135 7.0542254 5.196237 -1.9910343 2.3059645 4.9890084 2.0359404 -1.6838732 -7.9788976 -4.0435967 -5.056798 5.086074 5.7595296 -2.9934855 -0.18449426 0.16638617 5.5233617 0.56876135 2.0538027 0.81119096 7.4078274 -1.9263788 1.1132153 -6.1703334 3.033093 -1.1925769 1.2632885 4.1821995 Purpurester A is a member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one substituted by hydroxy groups at positions 5 and 6, a methoxy group at position 3, a methyl group at position 7 and a propyl group at position 3. It has been isolated from Penicillium purpurogenum. It has a role as a metabolite, an antiviral agent and a Penicillium metabolite. It is a member of 2-benzofurans, a gamma-lactone, a member of catechols and an ether.
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50994225 4.102959 3.631169 -3.3556938 -4.094895 -5.8749585 -4.7472696 -6.0599384 0.5498973 0.9657463 10.215321 8.5498905 -12.27966 -2.6385248 13.675169 4.4157605 -1.718915 9.479579 -3.9975836 -10.415799 3.3888416 -8.330493 -13.651789 -8.093697 -0.80938876 -7.910909 3.6795514 0.04008454 17.851774 -2.139208 -9.772116 1.5210497 0.07267228 -4.5226574 7.6238666 11.442527 1.9449912 -3.231052 5.6685677 -9.236778 0.430225 -3.1455717 1.9218247 14.151439 -6.1284156 -7.0237145 -4.2985477 1.9598095 -0.067918584 -0.29571316 5.91092 7.6986938 -5.1546454 7.190946 1.9034067 1.2750356 6.950128 2.3663962 4.813384 -1.3264884 -3.1975958 8.512212 -10.295626 -2.0110939 13.42715 -4.274475 -3.6183846 5.5586042 6.0159125 1.1678125 -3.922929 -7.2640595 2.4107757 -11.638692 -1.8314571 4.3677306 -4.7553363 0.22435525 10.859632 4.703635 6.9112167 -2.393135 -0.03822741 -1.3722637 9.351761 4.022062 -6.9141994 4.3571205 -5.6970468 13.833203 -4.5398808 3.1254306 -1.0775371 -1.5604877 -0.36639217 -0.36439878 8.128834 -1.041682 6.1575217 -8.175704 -2.3485122 -1.2094073 -9.454914 -6.3264203 1.2752163 4.647474 5.8875732 -6.850377 -9.059922 -3.920035 9.54482 -10.822134 1.9699955 -2.328785 -1.1498067 5.206171 -3.7784345 0.9620488 -2.1510448 6.1152406 11.40594 5.9505095 3.8911405 -3.896856 0.08381579 8.744297 -13.885801 10.590727 5.2608213 -3.7723575 8.52526 8.266556 -0.8186723 -9.416261 0.032515466 8.339832 3.377646 2.9196491 4.9161224 11.017223 7.6727614 -8.496932 -0.6490008 -0.388821 5.859437 3.7113807 -10.671809 -7.366085 2.9077802 -5.9867496 -1.5341561 -4.933372 -7.399811 -11.575541 4.9381003 4.1062365 -4.23225 3.46706 5.726817 8.151945 -4.410891 -2.7147303 3.4614463 -5.165612 -7.429934 -9.576333 0.0965857 7.4686027 2.9539742 -8.142214 -4.211217 0.83594584 9.221566 -1.2064 1.9890978 -2.1703117 -6.6106086 -0.21981725 8.691855 -6.202397 -3.2496316 -0.90803194 6.7525516 -6.9930563 -2.1616852 7.929453 2.0581627 -9.756425 6.418599 3.9631472 6.0954223 7.8351912 7.529549 2.875509 -7.745674 4.3731165 -0.79688764 8.966956 1.6222491 2.4686434 3.6089714 1.4289377 -1.3144505 6.0972805 10.461552 1.5650249 4.3935947 7.891121 -3.0216434 4.578871 4.8178196 -0.17249034 0.13959622 -7.2469535 -8.675674 2.3495586 0.45493034 -0.80456483 -0.24857527 0.75787294 0.6801339 5.037009 -6.9920774 -5.904184 -1.0415902 -3.5020988 -8.561611 -2.3804255 3.0020096 -0.046025187 7.7909975 0.47751072 3.7394476 2.557811 -7.7026186 4.6337466 1.8075542 5.871962 -1.5715115 -0.63931525 -12.017861 -6.8198843 2.703946 -3.7820644 2.1532457 -6.50834 -0.95409226 -1.2403669 5.5403523 -5.9901147 -6.4171786 3.3561244 2.93506 -3.2767944 1.6578436 -1.137471 7.8708425 6.3795323 -2.1932983 1.8418465 0.96839523 -6.540503 1.4477768 -7.9476147 2.7529657 -2.9035285 -2.8911736 3.5073414 -2.0363457 4.474368 -3.5726058 1.9393201 -4.475342 -5.2523284 10.894351 8.3452425 -2.8135245 0.4349947 5.728696 0.08053247 -8.156623 -13.627941 -1.8517308 -1.23205 2.9910893 3.8841553 -4.5160146 -11.875367 2.4324236 10.623037 5.2136507 7.2318497 2.0477395 15.417251 1.0785638 -6.5498724 -14.540577 2.6064777 -2.6873064 0.6466849 7.8717217 Cornusalterin E is a tirucallane triterpenoid that is (13alpha,14beta,17alpha,20S)-lanosta-1,7-diene substituted by an oxo group at position 3. It has been isolated from the stem and stem barks of Cornus walteri. It has a role as a plant metabolite. It is a tirucallane triterpenoid and a cyclic terpene ketone.
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164701 -1.152442 1.9707289 -1.4597181 -0.8284227 0.1274603 -6.277818 -0.31328696 1.6904037 0.36918974 0.8646407 3.0750804 -3.8828866 -1.2533238 0.63345987 0.96813095 -2.1581175 -1.3643326 -0.9770825 -7.131242 3.478173 -4.248904 -3.272931 -1.3304868 -2.6582353 -1.1243486 -0.34219238 -0.5957747 1.3106407 -3.2088127 -2.1367626 -0.8169724 -0.6156895 0.3368523 3.8329556 1.6737329 2.9522715 -2.1252139 3.6017249 0.034515426 0.7039002 -1.5307652 0.9099973 0.009012133 0.51873285 -3.662018 0.5610228 1.1173942 0.08481329 -1.9652337 4.1404395 1.7596022 1.9997165 1.8573961 2.3297853 0.99309826 1.7966918 -1.8892525 1.4681876 -0.7254434 -2.606501 0.5315441 -2.3225496 1.9132204 2.6777058 -4.3524537 1.802721 2.303334 0.73076224 0.8811721 1.2828418 2.0420244 0.54363805 -1.4077843 -0.33376968 -1.9175582 -1.9308978 -3.5776148 3.4265637 1.7141039 4.5390425 -0.98405886 -2.3062844 -0.74433345 2.6034021 1.0691246 -1.9897707 -1.88978 2.757594 3.1673546 -0.23979577 -0.47296482 -0.65508235 -1.83543 1.9665163 -0.3587114 0.9473927 3.431907 -2.196713 -1.2185683 1.4255927 -0.35816625 1.1848347 -2.9143355 -0.028642118 -0.39752564 -0.7686724 -1.5320067 -0.8419395 -0.08192862 0.3275541 -4.116044 -0.96784997 -0.7840984 -1.0493526 1.1594187 0.17235902 0.91051215 2.4450376 0.578425 4.308695 2.2242064 0.5144343 -4.260631 -3.0197976 2.2842638 -2.1159897 4.916606 2.012315 -1.1970856 0.71775985 2.7070262 -0.26316515 -1.4270673 3.095419 3.056791 0.11531581 1.6729872 -0.6947395 4.6501203 0.7186936 -2.0960402 -0.0596523 0.08954442 0.567694 6.988161 -3.0692184 -3.1851094 4.0461516 -1.365313 0.20353846 2.952558 -1.8731289 0.019611903 -0.6747593 0.18102902 2.3903406 3.8702862 1.6095821 3.2494593 -0.13905063 -2.6737692 0.07281684 -2.5697756 0.020600185 0.80878556 -2.5253966 5.758147 1.2489827 -2.537515 -0.42890185 2.535983 2.7533913 2.355536 -0.6788256 -0.9391527 0.5301659 7.1244507 3.825889 -2.1882422 -3.4208019 0.25962186 1.7628868 -3.6721768 0.4025636 2.9874473 3.1903603 -0.1534005 -0.57030416 2.3394802 1.0678457 3.4953969 3.82105 2.952987 -0.07481712 -0.7703399 -0.59794927 2.497737 1.5385574 -0.03834197 -1.5891781 -3.9539516 -2.8608131 2.8198261 2.6735632 1.33003 1.0387447 0.65659183 0.22885022 1.5200487 2.7338839 -0.97752744 -0.13879758 -1.2332408 -0.027110532 1.6133693 1.2232544 -1.0257877 -1.2295829 1.5774314 -0.80437607 -2.705947 1.1300645 -3.3815017 2.6365073 -3.5735369 -1.8350992 -2.6112626 2.5584917 -0.81901026 2.583358 0.42742968 4.576984 -1.2557856 -0.4560098 0.09231593 0.10571435 3.3067083 0.08726496 -3.8366938 -1.8733531 0.34856674 -0.52593815 0.104928404 0.19983545 -0.115133375 -0.7898264 1.3646204 -2.447567 -1.7644156 -0.05071429 1.4948629 2.1543217 -0.23176427 1.1084856 -1.8197987 0.18096729 1.9218862 -3.7745695 0.27761787 0.31415537 0.46171957 -2.6935909 1.4418446 -0.22909811 0.97298414 -2.3196907 2.3425407 1.3589392 1.4657557 -0.19253266 -1.0498396 -0.68300086 0.6520505 3.3217173 4.789941 1.3755322 -0.5613659 -1.9346513 1.7697506 -1.4536924 -3.0494928 -1.5731304 -0.21132499 2.4365287 5.5726886 -3.2603617 2.0989318 0.03951837 4.138659 0.8336115 5.8200197 -3.5198507 4.4090495 -2.3047178 -0.51000917 -2.9415724 -0.8468316 -0.21432368 4.0136724 1.925991 L-serine O-sulfate is a non-proteinogenic L-alpha-amino acid that is the O-sulfo derivative of L-serine. It is an O-sulfoamino acid, a L-serine derivative and a non-proteinogenic L-alpha-amino acid. It is a conjugate acid of a L-serine O-sulfate(1-).
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2771919 -3.8065605 1.3422093 -4.460563 -3.871452 -2.8541176 -8.429729 -4.53819 8.587184 0.09596893 0.6283772 3.14002 -9.187622 -2.497214 13.714751 6.113404 -1.8647252 6.8323426 -0.4518172 -16.46388 2.8845263 -10.047312 -4.8670163 -0.38598135 -8.987813 0.79847026 -1.304406 -4.557625 10.827115 -0.36656788 -3.099288 -2.7219555 -2.1623394 7.613624 3.5527556 2.5060298 5.074003 -0.8056292 3.0506334 1.883466 -2.095264 -0.9099654 -3.8020835 -4.7940187 -11.519375 2.0968394 -0.9500692 10.655925 -4.5799603 0.660408 5.379023 9.178946 -2.5062695 6.116056 13.32761 -1.873225 -0.06303015 -7.121767 -7.8086205 -5.2698674 -1.8159473 -2.9890156 1.5447016 -2.6866329 -3.5924706 -0.88037956 3.8385713 3.1264763 0.22746672 -2.8972213 8.645441 4.5574813 -1.3578 -2.850279 -1.0959773 -5.1708326 -4.876773 -3.8393981 8.665404 17.603237 8.105918 0.5602358 -7.8512936 -1.0040989 0.026251752 0.46769574 -3.2487051 0.8419847 -0.9100903 10.347121 -2.6817079 0.19842991 -8.147708 -2.5997427 -4.36815 -0.7906825 3.9605248 1.73425 -2.8175204 -3.3654082 2.3137944 0.45024222 -7.059795 -10.169509 -5.581867 5.057451 1.5632433 2.127542 -2.0059736 3.7456632 0.10900966 -6.2227182 -2.0251791 -4.665506 -0.44838753 10.645304 -3.512764 1.3210285 -2.2063036 10.11819 9.964305 7.063555 -3.7063913 -10.548558 -4.0637593 10.036652 -8.557181 7.1560125 6.2774587 -4.344386 4.7110243 6.2484837 -3.913528 -15.120158 3.412726 14.840097 9.549103 0.49715525 -10.331683 5.837192 10.984184 -5.908884 -3.437659 -3.7079082 9.0145645 12.748644 -5.864776 -2.3262427 5.4800034 -9.030851 -1.730675 8.676383 -6.8695445 -21.839624 1.3497065 -0.8156668 -1.1445029 9.177535 -1.1578252 -4.6851783 -5.38448 0.36365268 -0.77687454 -5.9494243 -3.1101496 8.951987 -6.9060426 9.9587345 4.3501844 -2.9905357 -4.2306824 1.2649213 2.110011 11.882579 -8.600955 6.626667 -5.0889187 4.760596 -0.5635262 -3.1142886 3.957895 7.439631 -1.1199516 -5.3231287 -5.5777335 3.9064033 -3.11029 -10.340928 7.7359185 0.5218549 -0.032070205 8.069712 -2.4342241 0.16345955 1.8065374 -13.212513 -3.585692 4.5926456 -4.5424685 -3.3695643 -2.1005366 1.0526245 -12.5406065 6.8355355 4.1537385 -0.0015832447 -0.41114652 -2.0513442 -5.001439 5.480258 2.830812 -9.37109 13.072514 1.4940182 4.3674655 10.579467 -1.1418478 -1.2249961 4.431219 -1.0650411 -1.7400961 4.866925 -12.86125 -6.9027905 -0.5384375 -7.9190564 -1.4815375 12.6566515 -9.688713 7.0941343 -10.458847 5.948226 10.276688 6.3256044 1.0008205 -2.6875598 -3.415761 -2.6024902 0.21225256 3.2024758 0.46252307 4.574507 -14.2185335 -7.8191032 2.9583626 2.9736788 -2.919941 8.902152 3.083266 -6.3282466 3.1107912 3.579041 7.1994047 11.438515 0.4127493 -6.8036313 0.25018466 5.970024 -12.248264 7.1420164 -10.501952 0.07531494 -4.15351 -4.477831 3.5501606 -12.368678 0.5352765 -3.0386262 2.3697793 2.7387629 4.963701 8.58592 -5.5744877 3.8526769 21.620909 17.755362 -4.8288226 7.1279106 6.701391 -2.7233653 -4.4761114 -14.466287 -12.665729 -13.565307 4.8794656 6.0460186 -8.944904 3.263059 -3.956194 7.4270635 0.6039648 3.0821302 2.0975456 11.8186865 -9.233582 5.8175106 -6.9879966 4.669244 3.2952526 5.430324 4.0385633 2',4',5',7'-tetrabromofluorescein(2-) is a carboxylic acid anion resulting from the removal of protons from the phenolic hydroxy group and the carboxy group of 2',4',5',7'-tetrabromofluorescein. It has a role as a fluorochrome. It is a phenolate anion and a member of benzoates. It is a conjugate base of a 2',4',5',7'-tetrabromofluorescein.
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71306348 -0.6223476 3.3106985 -6.562062 -2.100127 -1.0063493 -7.6673455 -5.065217 1.8035659 -4.5826025 7.921127 5.327687 -9.410401 1.5969824 3.7391999 2.0918458 -3.5133195 5.8222837 0.6376773 -11.641712 3.4231327 -2.2829776 -4.8423576 -2.3420067 -4.8256264 -1.6942805 0.88187927 -0.6352076 6.8184032 -5.0264254 -9.366801 -1.9493238 0.67554134 2.2560115 8.089905 5.34767 4.853013 -3.278733 2.31047 -1.6180648 2.458825 -3.1051679 3.026413 3.0233502 -0.22566302 -6.8104825 0.2308889 5.149763 -2.3994906 -3.7358057 1.0801997 6.260127 0.39199615 5.28305 3.2408104 0.55511767 1.17155 -4.913657 -1.7684755 -2.1778066 -3.1829357 4.9756413 -4.4695973 0.18654987 6.622567 -5.2926292 2.4818113 2.589458 3.6018198 -1.9148488 0.8123675 0.71684086 2.8987865 -8.31971 -0.933873 -1.7270112 -4.931813 -5.8357687 3.8676207 7.056339 7.956242 -0.6751369 -5.4481997 -1.1341524 7.7373962 -0.97933245 -0.65391 2.3585384 1.6760966 8.959557 -4.2124176 -2.0194926 -2.7686446 -0.4393741 3.7052124 -1.9918119 2.7057664 2.7306852 -1.4149734 -3.86552 0.3867534 1.029227 -4.8972006 -6.34172 -0.84764725 5.3814692 1.2621863 -0.3904652 -4.6840825 0.021747485 6.4943366 -6.3396535 1.2974445 -7.9960847 -5.216583 4.7521477 -3.4811788 4.409953 2.030532 1.6153725 8.562819 3.5820553 -3.69624 -2.8480291 -0.99845076 8.942442 -9.53305 9.927258 7.3101053 -0.18911065 6.7828093 6.0127783 -0.9725869 -6.1572866 5.2096434 7.539591 -2.9498956 0.16582195 -1.549918 6.6394205 4.449407 -3.6831758 -0.09021054 1.9750531 2.8007257 12.803166 -7.5140443 -6.529195 8.86024 -9.26404 -0.97911763 5.461534 -5.546222 -7.978019 1.0604708 -0.42402947 -1.2881391 5.594648 4.081638 7.3575416 -7.3455462 -5.851291 -0.057513293 -8.408088 -1.3518311 3.2937732 -3.1465824 15.127913 8.216019 -4.745572 -4.855285 1.1777257 2.60914 7.1861305 1.5852586 0.072655976 -3.7072177 9.314387 4.7109995 -6.730289 -1.6327516 3.2980983 0.63904065 -5.409057 -4.964005 4.955593 1.5426129 -6.268987 1.2714677 1.6626995 -0.06997555 12.145972 2.607441 2.5798905 -2.6546419 -2.847816 1.3591424 4.8339252 1.3191607 1.68568 -1.2005388 -1.4069583 -8.020527 2.634781 5.011508 1.6458621 -0.04874129 3.8815098 -4.1602607 7.339176 1.3939704 0.031713396 6.7398753 4.133827 0.7980832 6.0264106 3.2297428 -1.9510515 1.8074148 1.2373512 -4.0305414 1.8091218 -7.655882 -6.055084 -1.4871528 -12.037269 -0.1522585 2.3476148 -3.1171687 -2.4461281 1.0297339 2.9914503 7.048589 -0.8843803 -2.1586976 -2.110471 2.1350167 0.4887582 -2.4694679 -1.0095195 -5.2185564 0.18614063 -5.7700987 -1.7417983 1.030252 -3.519693 -2.3700824 4.1197596 -0.7100926 -3.7050278 4.670647 5.195028 5.425701 -1.2959862 1.2399375 -2.1573207 4.12291 6.3226213 -5.4093604 -0.8424724 -5.8642206 -1.1888921 -5.4185357 -8.024173 0.8518714 -3.8481483 -2.4345706 1.7512307 4.228667 4.2556777 2.7325613 -1.8711585 -1.3077701 1.5467093 7.6537786 6.3576417 -1.2324712 1.6623535 4.2895393 -0.6644377 -2.6295078 -7.5057397 -4.204365 -1.9971223 3.4428413 4.583532 -2.349551 1.3366277 2.4407113 5.2732325 3.749357 6.5745754 -3.274052 7.794124 -0.7527208 0.48641968 -7.8588896 3.0120814 4.100202 3.6467164 3.0354881 6beta-({5-[(p-aminophenyl)imino]pentylidene}amino)penicillanic acid is penicillanic acid carrying a (p-aminophenyl)imino]pentylidene}amino substituent at the 6beta position. It has been used as a hapten in the production of a generic monoclonal antibody for determining penicillin residues in milk. It has a role as a hapten.
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1489 -1.9330776 3.0362825 -2.1459594 -2.7457433 1.3788246 -3.7040455 -5.427601 1.171176 -1.8096104 -0.93926376 3.3120487 -4.133716 -0.5311321 2.0196128 0.9919484 -0.537586 1.3958023 0.9027027 -8.915834 3.2870793 -3.6604095 -2.6926124 0.8677097 -5.5502977 -0.3815435 1.3534249 -1.112699 5.6681495 -1.2809764 -3.4415722 -1.5207057 -2.5562656 4.3092012 4.806696 0.11380975 4.8189783 1.0445149 4.009509 0.20885256 0.48971835 -3.4759147 -0.68330634 1.0139908 -4.043204 -3.0148342 -2.2067614 3.7653878 -3.5822635 -0.79180175 3.1882913 3.8950381 1.0631777 4.9129443 2.7175176 1.3095019 1.3106997 -2.8038375 -2.1237898 -2.854065 -1.0116408 -0.3744431 -1.0516617 0.34445658 4.2518067 -0.62077206 0.5947856 1.4833592 0.65746844 0.13854787 2.2569423 2.276644 3.6848116 -0.38322553 0.43193597 -1.9797399 -0.8662966 -1.336284 3.8675942 4.8359313 4.534407 0.5094543 -3.369959 -0.11779314 -0.37413362 -0.09400971 -1.4213233 -0.93367535 1.903747 6.821743 -0.8050801 -1.079879 -2.370112 1.3091596 1.8341312 1.0420558 1.6316704 -1.2621378 -0.008721277 -3.3362398 1.0095134 1.3665144 -1.2251236 -4.784615 -2.8632464 -0.38317227 1.6576394 -0.451374 -1.6958021 1.0802677 3.126048 -1.810361 -2.678935 -3.6969054 -1.6402977 2.3044562 -1.7079645 2.1255145 2.2559907 -1.163795 3.6125572 2.800134 -2.5958593 -4.015217 -1.3043364 2.8062372 -4.5714736 4.056611 3.5923438 -0.63181347 1.1016765 3.7638612 -2.492762 -5.225112 3.6106942 5.274092 2.900695 -0.28099805 -0.8255923 4.9454565 1.7847617 -1.2564459 -0.09389563 -0.012913898 1.4642758 5.736415 -8.625662 -2.84477 3.7741988 -4.5321665 0.9938281 4.37216 -1.7308496 -5.5119195 0.5939537 0.10675198 1.6188248 5.733088 1.2360324 1.6878433 -3.0515895 -3.3794737 -0.8194062 -4.0616875 -1.9851949 3.436918 -3.6015644 8.193474 4.1481423 -3.435189 0.12696615 0.121067226 0.60345405 4.6465034 -2.0969863 2.3427718 -2.7826822 4.562721 -0.5085444 -4.6206384 -1.9841528 3.411418 0.33611315 -4.088543 -1.1306993 4.5860314 2.013829 -4.7566304 2.3159695 -0.41228497 1.6824768 5.9087086 1.9102712 -0.3138721 -1.1100255 -3.3679967 -0.9582615 2.1610653 -0.7803539 0.04057059 -1.5838441 -0.52650857 -4.4399023 2.6837838 2.4485323 0.28560746 -1.0121051 -1.6594863 -0.57314205 2.3356302 0.830985 -3.3721142 4.009383 2.4984636 -1.8007989 4.689068 -0.08971649 -3.5729253 -0.27453914 0.40270358 -0.32586896 2.9228883 -3.4540975 -5.214978 0.26818207 -5.4429517 -0.0575592 2.184104 -2.8929157 0.194031 -0.87785566 2.274789 4.8556576 0.2505268 -1.6359694 -1.356546 1.2497333 2.9541528 1.1022744 -2.2663033 1.645646 0.68083155 -3.2482069 -0.38942605 1.5648729 -0.7258291 -1.9144744 3.6206846 0.3254301 -3.7904134 1.0953063 2.2280543 2.4684093 2.1665971 -1.1093173 -3.5088532 -1.9800676 3.6498425 -2.2356312 -0.21523407 -4.367641 0.3821962 -1.9896878 -1.7802613 1.7997009 -2.56088 -1.1450763 -1.2108457 -0.7329636 0.8946634 0.75903964 0.10756236 -2.3311605 2.4552362 4.532557 6.769008 -1.2900958 -0.17050342 1.8302393 -1.4452013 -0.7420717 -5.856404 -3.6776948 -2.0014796 1.6702188 2.3831685 0.48510176 2.7482576 -1.4289126 3.5621054 -0.9445352 2.561188 2.2823877 3.210567 -3.4128437 3.8246813 -1.3926507 1.2875032 1.9820123 1.9966006 2.7514627 2,4-DB is a monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a 2,4-dichlorophenoxy group. A selective post-emergence herbicide. It has a role as an agrochemical, a synthetic auxin and a phenoxy herbicide. It is an organochlorine compound, a monocarboxylic acid and an aromatic ether. It is a conjugate acid of a 4-(2,4-dichlorophenoxy)butanoate.
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58978532 7.1981125 6.1964607 0.4497237 -6.581995 -3.5529397 -7.1786695 -5.2948303 2.1816955 -4.0814586 3.9141881 6.949521 -6.932246 0.79444337 0.39166856 -3.3647556 -1.7855054 3.4988198 0.5679604 -4.4246135 5.1563897 -6.672467 -1.682887 -5.6817064 -5.9631014 -5.672867 0.21423331 2.9791322 9.336053 -3.5582893 -5.4133463 1.5674566 -1.8021075 -2.340292 7.074562 8.26548 -0.05829004 0.61085117 3.5283725 0.09384817 5.016043 -5.131641 0.5147631 4.145961 0.184732 -5.307596 -1.5202454 1.7197345 -0.9295909 -1.6448495 3.9292357 7.2068586 -0.50832534 0.7030423 1.8675299 3.6033292 0.5995035 3.1148295 0.5268707 -3.757817 -0.2048551 1.0136163 -6.2012663 1.7660705 10.181701 -2.5886075 3.0672145 1.9728999 1.8021336 3.5409515 -0.50309134 -1.8365364 4.3743176 -6.2990875 -0.40671855 -1.9410536 -2.2410488 -5.596297 5.77766 1.5019983 5.981487 -8.165573 -3.0698884 -1.6209455 8.547192 3.5073695 -7.3920684 2.0054479 1.3709077 11.32126 -3.5594234 0.49028414 0.47243485 -3.2148173 5.044227 -3.297791 5.135978 -0.72420126 -1.4183753 -1.0283637 0.2863134 1.8157327 -3.3875616 -6.3409705 -1.6191124 0.47378314 0.4129734 -4.976221 -4.967916 -5.8769035 8.575153 -3.7163577 -2.7877028 -1.3136163 1.9429579 5.324083 -4.600404 0.74135345 4.459698 6.242877 4.6538243 3.1563387 0.6690792 -3.8087084 -1.6321744 4.329159 -9.387933 11.844194 7.2862873 0.6687746 4.5071435 8.369394 1.7014126 -10.584825 8.546195 7.872513 0.5401824 2.8462706 2.7158856 8.716116 3.2230413 -1.796377 -1.5077735 0.40368333 4.5472484 6.0166903 -7.472618 -3.33497 8.360494 -2.9671507 2.984438 -0.6909917 1.5324478 -4.761072 0.93011314 0.54249656 -1.3518568 5.491392 4.442626 7.021335 -3.066794 -11.579803 -0.3943257 -7.384282 -5.8536596 -3.3386111 -8.240816 12.388395 6.2746043 -6.3300276 0.08971991 -2.4099972 4.2032027 1.9711113 3.274028 -2.0594919 -2.6559186 4.959954 10.287242 -7.248784 -6.9420652 4.953965 1.7559724 -5.0823035 3.760693 5.0500574 -0.46740866 -1.0563949 0.515515 0.85857856 6.1109457 7.109761 7.6590166 2.915635 -3.4727933 -2.4292428 0.5756071 3.391884 1.1565808 1.4009888 2.6769392 0.67038184 -1.7223752 2.7248023 7.5682077 1.253121 1.7822442 4.611099 3.0391467 1.7239887 8.149346 0.8544346 -3.7945015 -0.6288558 -1.3949028 2.736167 4.311437 -3.500913 -5.6698236 0.99255276 1.2791967 2.8445296 -1.172546 -4.5748363 0.10471913 -8.21759 -1.8153532 -4.3992953 0.73549396 -5.377787 4.4978733 0.423163 -0.11506131 -2.8250272 -1.7826847 4.1855755 4.8762617 5.49489 0.8116561 -1.2262073 -0.97152644 0.07724465 -2.1927586 -2.1580832 -0.11033404 -1.4863337 -2.980553 1.5183444 1.5413824 -5.9250755 -0.6108778 7.224764 3.1677551 1.3974656 1.0996711 -0.9712577 3.3576663 4.849757 -5.7169013 0.7602944 -0.7962217 -0.950007 -0.24152666 -3.6708922 -2.12964 -0.7568196 -0.31370872 -0.4041043 -0.34782356 7.725659 1.0197723 -1.0655652 -2.5395913 2.7590244 4.177974 8.208829 -3.0179195 -0.7135024 -3.7613995 -3.495502 -3.925132 -6.2489667 -2.6488001 -2.9392297 1.6452719 3.966085 -2.7037213 -1.3813281 -4.5444937 3.6380172 0.28844458 7.9045467 -0.14644599 8.962185 -3.6999168 -1.5656438 -10.718501 -1.38584 -2.0053997 2.0425947 5.091446 Perindopril(1-) is a monocarboxylic acid anion that is the conjugate base of perindopril, obtained by deprotonation of the hydroxy group; major species at pH 7.3. It is a conjugate base of a perindopril.
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28125539 -4.0019803 6.9481473 -1.6950146 -3.4390957 2.6087744 -7.269315 -10.581745 -1.0856329 -2.6608164 0.8156538 9.451555 -6.1472616 0.040940605 10.380374 0.6886843 1.5297686 3.609128 -2.6465006 -14.224701 8.150618 -10.946907 -0.8283024 2.7871883 -8.148682 -5.3799863 -2.351212 -0.3687339 9.208905 0.30064502 -2.4666731 -0.74695385 0.66709393 4.758287 7.5855675 -0.75722075 4.579308 6.842756 2.7292278 -0.16574568 -1.6619545 -4.2386684 1.8885034 -1.6827619 -6.494893 -4.2425823 -7.8262196 7.907469 -6.051632 1.838549 3.1663866 7.9443913 3.70709 6.2035155 0.848796 0.5444016 2.1778662 -1.0801232 -5.753944 -6.8704123 -3.2434525 -0.7933699 -0.27798298 0.20462844 3.9366336 -0.7624872 1.9205297 3.0790832 0.24641621 3.2391684 4.05381 -2.4446645 6.465547 -1.8888918 1.7948556 -5.6556726 -1.3410269 -5.064861 6.7823153 8.932287 5.7908545 4.972359 -2.8932002 -0.10481036 -1.1675743 1.5451889 -4.0686693 0.6421201 0.64587665 12.50458 -0.2667684 -7.5409994 -10.699272 1.6692526 2.73067 1.4055507 2.6875634 4.199883 0.59305817 -5.0883875 2.4856982 2.4510496 -2.6196504 -2.5181413 -2.8559396 -0.6197162 3.7593732 0.39951926 -2.4549458 0.17794485 5.870483 -4.5688214 -6.110508 -4.224505 -2.8617365 1.5895914 -3.8411372 -0.9176272 3.128867 0.8255047 1.81335 5.8555136 -5.546437 -7.6977367 -3.357698 5.7392907 -8.370377 11.24276 6.9743567 0.585065 2.8316495 6.0821357 -2.9362972 -11.958014 7.7261796 7.655641 6.6869473 -2.2247612 -4.9968452 3.4423225 3.998545 -2.3504157 1.5013 1.2106559 5.366271 11.922732 -14.178588 -3.465315 5.120165 -8.077516 2.818363 5.9999046 -5.5710254 -9.275663 5.321973 -0.6413845 -0.89728236 5.6236796 3.6788595 2.3162758 -6.716711 -0.6016937 -1.0902306 -4.7685776 -2.5940547 1.1334268 -5.660002 14.498127 3.8705466 -5.572821 -3.5075853 -1.1471337 0.11479619 9.53137 -1.2773134 7.058464 -8.76694 7.7913847 -0.8714934 -5.403115 0.23341121 8.601032 2.0273454 -3.3564148 -2.8768206 8.70646 0.24326965 -10.017897 4.361151 1.2827365 2.2820747 12.695293 0.9763037 0.5292074 -7.399935 -2.8018515 -4.610743 3.2495239 -2.8176117 -2.3733413 1.7428876 2.78556 -4.4825788 3.5576718 3.6686695 -0.47812852 3.389986 -3.519516 -1.345923 7.4225917 4.289054 -4.5747347 4.9899282 1.7417587 4.860273 6.1030235 5.563278 -5.022817 6.598233 -3.100262 -1.2686701 6.342345 -11.222689 -9.082458 -5.015332 -8.099656 -1.1307322 5.7250605 -2.3224163 2.7143884 -2.0460954 4.9504085 15.279211 1.4846293 -4.8209834 -1.0361634 3.4197052 -1.5531477 2.995057 0.060348757 1.4436036 0.7527436 -2.1975882 -0.38082528 3.4946089 -0.15265764 -1.271073 6.023988 1.6223983 -7.776959 0.52664095 0.289984 7.936936 9.182234 -2.997997 -9.5526285 1.1794417 2.1528287 -6.8689475 2.3330956 -3.1542814 -2.9424384 0.5717 -4.277804 2.771019 -5.5592666 -2.8769312 -2.0876162 1.0746486 1.0792166 2.7322233 4.8213873 -4.4688168 3.8908882 7.461178 17.25118 -6.654586 3.825288 3.5189126 0.07752586 -1.3447287 -11.335579 -6.1415153 -10.726912 8.525711 5.772908 -0.9127756 2.1873848 -6.628463 1.8722181 -0.8793745 5.5833874 4.7711115 8.569451 -6.8881397 3.714115 -7.467292 -1.1964834 6.6238847 0.86291355 5.2812786 (S)-haloxyfop-methyl is a methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate that has S configuration. It is the (much less active) enantiomer of the proherbicide haloxyfop-P-methyl. It derives from a (S)-haloxyfop. It is an enantiomer of a haloxyfop-P-methyl.
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5546 -0.023207009 9.4350195 -3.5466015 -3.3639739 3.2629526 -6.389559 -10.312429 4.9220138 -1.0524075 5.576012 5.287974 -8.805984 0.11610233 9.3125105 3.1338632 -3.6171336 0.81200725 -0.46904206 -12.98664 2.0657563 -3.924783 -1.6271768 -4.2292566 -3.3589003 -3.6350493 -0.8006964 -3.7189007 4.534245 0.26145917 -5.20354 1.2927014 2.913165 2.3927064 5.571752 4.7969866 3.287014 0.06093271 2.2453396 4.3733764 -5.1917048 -0.95910466 2.899691 -1.6406255 -2.9666944 -5.321504 -2.0462615 5.4600325 -1.6119359 1.6223998 3.0617409 5.195928 -0.5931164 2.302472 3.7374058 -1.9497736 -1.1632147 -0.6200064 -5.6874824 -5.411134 -3.700057 -1.0665152 0.044483446 1.9790483 1.0765444 -3.6582386 -0.23907198 -1.2680848 2.4350607 -3.723919 6.2488313 0.59933805 0.1493731 -7.410139 -1.6508391 -2.0810525 2.4720397 -3.8145876 7.177763 5.441343 6.2933855 0.931558 -4.138121 2.7915094 2.9477594 -3.5536487 1.2729731 2.332685 -0.25873 5.1197844 -5.1431093 -3.8248007 -7.665199 0.04970541 -1.7013488 -0.0049032196 0.6583021 -1.0008341 -1.6168603 -3.3103962 0.7997892 -1.4640963 -4.0030956 -5.358846 -0.51285803 3.0843358 0.13583995 3.9102712 -0.76153976 1.5393384 1.7431903 -5.1187024 -3.2997265 -5.5030937 -5.8886185 11.144847 -3.7701864 5.101692 2.7638028 5.169137 6.5190353 4.5925584 -2.855336 -9.934377 -0.31118292 8.958274 -3.2524195 11.240625 3.888729 -2.2625017 3.320637 4.921758 1.8336085 -8.438871 3.1227338 10.437524 2.3464963 -1.6435428 -2.8219242 4.3901176 6.1519933 -0.4154653 -3.8164349 -1.0452847 6.8320456 7.3975253 -2.6743011 -4.066766 5.5143285 -11.163781 0.8097097 10.493193 -2.7896059 -14.400796 0.6620212 -4.1532497 0.17601909 6.193932 2.0109425 1.6101255 -9.102878 1.9799087 -3.1041558 -7.623778 -3.8436513 4.8275156 -6.092387 11.900913 4.198122 1.5289819 -2.2309794 -0.81636286 -5.535603 8.675194 -3.3978555 4.88529 -2.737357 2.7837794 -2.3298376 0.91257715 0.920074 3.1820278 -2.877441 0.7441782 -4.469306 8.073162 0.19458178 -4.2730794 2.2541463 0.58776265 -2.127944 10.934001 -2.7478383 -3.0472713 -2.330955 -5.6714063 -1.4542927 -2.2720032 -3.9475894 0.07083163 -3.2890043 4.2821336 -7.9270062 2.7668915 3.6404922 1.3047324 2.864521 0.9381014 -4.766341 10.28103 2.197994 -1.7429574 10.892324 4.3842025 9.797602 4.4429545 6.2633696 1.6148555 7.4096704 -3.218408 -3.095738 2.0301754 -18.716496 -5.728547 -0.384206 -9.003821 -1.9056509 6.4856186 -9.055424 3.1197886 -4.821955 -1.3667619 8.413336 0.86700153 -3.2492495 -2.1834867 2.6762538 2.3679717 -1.362565 5.5575347 -0.64291346 1.7364483 -8.007708 -4.288128 0.8497064 -0.98991096 -2.4048998 3.4801621 -0.76311135 0.03931266 1.2994528 2.3894274 3.4864025 5.183275 1.3171318 -1.4194429 3.815316 2.8148084 -7.7056384 1.0925658 -7.415034 -2.6590786 -2.3974383 -7.2606864 7.1040707 -4.2434764 -0.010143995 -2.9108784 3.1864805 -0.5725789 5.7536273 0.69933546 3.33432 2.959055 4.485306 11.348358 -5.7841663 7.054051 0.61473113 -1.4863133 -0.8224077 -1.3268698 -6.960721 0.42953217 5.298087 1.1804987 -4.1640453 3.9686704 -0.9497099 0.486749 -6.0079885 1.0447931 -0.3766912 4.2971697 -3.3949754 -0.11133492 -5.307752 1.5879241 3.4072933 -4.3929844 -0.012555778 Triamterene is pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. A sodium channel blocker, it is used as a diuretic in the treatment of hypertension and oedema. It has a role as a diuretic and a sodium channel blocker.
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132282048 3.613084 5.810569 -3.153419 -1.7751797 -4.4087768 -4.6434274 -7.172657 -0.19803466 5.808462 5.2102995 5.3659554 -3.168939 -3.8801954 11.8930435 0.9789348 -0.39295343 10.520595 -0.01576095 -8.853534 3.84097 -2.053893 -11.178918 -11.609914 2.0702438 -6.583302 -0.9759689 -2.0647821 10.587708 0.42526573 -4.55815 3.407327 -3.9083345 0.04088559 5.0690894 9.608389 -0.87738 -0.3800853 5.359745 -4.8843765 -3.0754006 -6.353662 4.7553 10.424616 -1.6328421 -0.18588579 -6.4453874 2.6783774 -3.8836372 -2.6067328 1.4741269 7.7896867 -6.035232 6.826956 0.22379905 1.6088166 7.0763445 -4.1140046 4.991057 -2.4668958 0.33709317 8.290864 -5.5822525 -5.461913 11.931739 -1.4988672 -1.2845051 5.050395 4.561165 1.5597781 -0.61754763 -4.3193293 -2.1506777 -3.2661948 0.10061917 4.7523427 -3.307301 -2.9620836 11.338373 5.971736 5.9623804 -3.7013302 -1.6136451 2.8513966 7.2983513 0.30227625 -6.5594716 5.4841046 -4.705442 13.935043 -5.161897 -0.24862516 -0.074725255 -3.700548 -0.1711941 -8.63012 4.2053485 2.210679 2.1302338 -2.317684 -1.59152 3.431116 -8.822001 -9.715813 -0.056273423 6.874304 6.089836 -2.8195457 -7.2529855 -3.47897 5.193072 -5.897183 4.5583577 4.607902 -1.2789192 10.22208 -3.8113613 -3.899674 -2.316041 7.9924245 5.686316 1.9013687 1.6682909 -4.1942754 -1.1159565 8.205637 -12.654726 10.153506 3.5092163 -3.0990868 8.643006 0.30062112 2.0298278 -9.623126 4.781185 14.202712 4.359706 6.3970556 2.603596 6.437832 7.8929706 -0.3554395 -1.0704463 -0.2732618 2.6878443 1.1691222 -3.9536374 -5.071939 7.0533233 -6.441899 -3.9542618 -1.4529816 -1.0820571 -7.909934 2.5895185 3.756468 -1.8119285 5.79296 3.3936334 3.5729144 -3.4479296 -6.401271 2.045598 -5.655126 -2.6137545 -4.61257 -1.8111908 13.226137 3.4114337 -9.095154 -5.5715466 2.3657868 4.804579 4.4835205 -0.025969759 -4.9849286 -1.7978009 -0.17686352 6.1585236 0.29530978 5.7522583 -5.8662186 4.9390225 -9.665112 -3.8302655 1.3916205 -0.7136634 -4.634218 4.14712 3.1037998 0.78874123 6.922528 3.367636 2.4354796 -0.34900388 1.7763577 -0.8703727 7.1315913 -1.7445436 2.0082 5.193405 1.8831989 -1.9012061 2.3446739 11.676121 5.14236 3.546145 4.1274514 -2.5333939 3.9190452 6.245825 1.9896038 -2.7362223 -3.1219168 -7.2162914 -0.37435144 2.290266 1.9316005 -2.6893451 -2.053824 1.3147994 4.1974316 -7.1789284 -2.6936963 -0.657349 -1.2890598 -8.545793 -0.21909231 -2.6583738 2.387649 1.8299842 1.2233788 0.28093472 8.507936 -1.2623346 2.3461711 3.0180254 0.4998291 1.348298 -3.548705 -7.470477 -4.2150702 -5.7967634 -9.99389 2.3437614 -1.9631209 -3.7485986 3.5940866 4.4365396 -4.5155015 -8.561161 4.953032 3.6596975 -0.26028872 2.8633957 -0.060899287 5.797009 5.4736333 -3.515907 0.056803107 -1.5049069 -6.8244343 -0.79758686 -3.2452514 -0.009819545 -5.1004667 -5.1703377 -0.81102943 -0.67869604 4.3010907 0.50484014 2.2601016 -3.3606539 -0.4019059 8.038225 7.9482384 -2.2558045 -0.5476035 2.64023 -4.957383 -2.6394057 -13.27379 -3.1044455 -4.1744156 5.812731 1.7012767 -6.734098 -10.827209 -1.3691177 6.968571 3.0050993 3.642328 -1.4497609 13.601001 1.5974158 0.29635876 -13.328465 2.9603527 -3.7804754 0.16056766 7.906013 Jacobine N-oxide is a pyrrolizine alkaloid that is jacobine in which the tertiary amino function has been oxidised to the corresponding N-oxide. It has a role as a Jacobaea metabolite and an insecticide. It is a macrocyclic lactone, an organic heterotricyclic compound, a pyrrolizine alkaloid, a tertiary amine oxide, a tertiary alcohol and a spiro-epoxide. It derives from a jacobine.
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117072652 2.385009 7.948567 -1.6825309 -2.2670915 -2.9654875 -14.888762 -4.22826 -0.12754363 5.435249 5.7857723 4.259163 -7.359912 -4.359381 12.930115 4.6896553 0.5609138 9.53841 -3.0859914 -17.016884 10.19669 -6.685062 -11.289683 -8.208456 -5.6027827 -6.7169237 2.5561335 0.5381076 12.555725 -0.022185564 -4.9518027 1.186786 0.78266597 3.2086732 8.873559 12.569013 0.67400074 -2.204677 6.88784 -1.3541515 -0.5693679 -9.902771 4.2265534 5.940474 -2.4377737 -0.10742304 -3.2482948 3.6624174 -0.43946472 -2.5622358 13.131769 7.387828 -4.092782 6.6036835 0.7574087 6.956512 5.484948 -5.100027 5.2593985 -3.5159557 0.39294726 2.4831421 -5.285155 -3.7413585 8.100071 -5.368981 -1.0683329 2.8336573 5.8482957 0.2186158 -3.4740026 -0.8063373 5.2498517 -5.793556 0.97496086 2.0937896 -9.036238 -11.802218 12.823781 5.852872 7.216421 -4.5617986 -6.8470592 -2.1599178 5.969006 3.5646203 -6.6495543 5.287726 -2.5516312 12.381171 -5.984648 2.3236632 -4.04884 -4.355119 3.325623 -2.673436 0.7341248 2.6183503 1.798356 -4.6650248 -3.8318477 4.1396146 -9.57449 -13.486473 -0.7168716 10.909587 4.4869313 -6.0142703 -6.8887286 -3.417076 5.6837854 -8.348737 1.6749367 5.320621 -1.9012789 12.316864 -9.897365 0.50826806 2.5159662 8.031498 9.083766 5.556578 2.5273044 -8.782121 -5.303449 10.565068 -15.708682 13.826952 7.625606 -8.886533 7.6949034 2.9252388 2.9880302 -13.04982 7.135653 17.562756 6.4153156 5.9055543 -0.13391963 10.710749 12.025936 -7.506992 -0.49454308 1.7088361 5.025371 12.137636 -6.7533383 -7.589439 8.603359 -9.293878 2.577751 5.1665406 -1.3582885 -10.938073 1.7361897 1.2084321 1.7809306 13.585846 4.250737 8.929446 -7.255979 -12.633862 1.5808514 -7.796976 -2.552688 -2.4824834 -4.234379 20.411837 5.917147 -8.28086 -4.793843 1.677578 5.659868 6.6483636 -0.75165063 -2.3022463 -1.8438343 5.431888 9.083773 -3.9191198 4.351807 -3.0939093 3.5342941 -12.174088 -1.2991521 4.3312974 -3.2336247 -1.7043643 -3.3552063 1.327728 1.2214433 8.769531 4.421348 4.67712 -0.009215027 -1.7395256 3.4034472 6.6354446 -0.19516365 0.98667246 2.167939 3.496014 -3.9902964 6.0798473 10.036811 5.1985855 3.319669 0.808592 -0.05475121 2.5383277 7.8495946 0.9670023 1.5636195 -5.0054584 -4.0121098 2.5409274 5.7849507 -0.908332 -1.8534038 0.35424733 -2.9721265 2.3672388 -8.678477 -5.0920844 3.198096 -3.1956797 -9.233744 -2.9823756 -0.12750266 1.8746114 1.4860693 2.3377087 4.325782 5.4098873 -0.0029422697 -1.797968 3.8302438 4.9675236 1.0771748 -5.2919173 -7.1364536 -5.6585417 -5.8110957 -5.8602777 2.06549 -0.756007 -2.2686055 2.7754345 0.5244996 -3.0020146 -4.9219847 3.9067504 4.956154 -3.8538704 4.618555 1.676327 7.7971935 5.350122 -11.025629 -0.96277416 0.9671412 -7.355508 -2.5434377 -3.495599 1.2464595 -7.7673564 -5.234347 3.2840989 0.11899289 6.6409054 1.0453683 0.13180092 -1.5889969 -1.3360829 9.088791 13.658811 2.621489 -0.11035387 -1.9222602 0.6156707 -2.119258 -8.368746 -8.32028 0.108855814 3.0192766 5.2404394 -10.485897 -7.080522 -3.1916203 12.664842 4.395963 1.8804586 -4.543851 16.174715 -0.8772203 -0.15879469 -12.983608 2.2641232 -6.06393 5.242552 6.383456 16alpha-hydroxyestrone 16-O-(beta-D-glucuronide) is a steroid glucosiduronic acid that is 16alpha-hydroxyestrone in which the hydroxy hydrogen at position 16 has been replaced by a beta-D-glucuronyl residue. It is a steroid glucosiduronic acid, a 17-oxo steroid, a 3-hydroxy steroid, a member of phenols and a beta-D-glucosiduronic acid. It derives from a 16alpha-hydroxyestrone. It is a conjugate acid of a 16alpha-hydroxyestrone 16-O-(beta-D-glucuronide)(1-).
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5850 8.900288 4.604731 -1.3756647 -3.2080278 -0.35228002 3.2747126 -5.9650016 0.622519 -4.537355 4.0791554 4.4812326 -4.2451696 0.42309424 3.5177906 -3.029551 1.4013968 4.5129156 2.4014714 2.9961305 2.160337 -1.4001812 3.104067 -6.9568176 -5.464367 -1.907936 2.6850085 -0.9900765 10.168219 -3.542272 0.2320165 2.124588 -0.23918378 -2.7657762 3.5146208 4.727213 -3.1654685 -1.6995716 3.846756 -0.27494377 -2.3985643 -4.4096146 -1.1110225 5.49872 1.6510078 -2.5641422 -3.3602128 2.9581988 -5.543783 -1.9270134 -1.342694 2.9749181 -1.7118683 1.2691847 -0.29876947 0.84409094 1.0714437 0.20951238 4.313968 -0.7449799 -0.29073736 3.506407 -5.5405555 -3.4327362 9.938773 4.7412663 2.9949026 -3.0287979 -2.0213876 1.8536651 0.1443317 -2.0027213 -0.45760128 -0.03230881 -0.6571691 2.2515042 -2.502822 -3.0256555 8.272426 4.8988786 1.6984525 -3.1703162 -0.9669391 -1.647793 5.342268 0.6665301 -2.8019626 1.3453246 -1.4298314 15.4173355 -5.178615 -0.24307927 -0.23745257 -1.5394769 3.231774 -5.9779005 3.3810432 0.20615801 -2.1121485 1.5153131 4.6325974 2.7749636 -4.6175313 -5.874881 1.3779386 -3.8811414 5.3196354 -4.6193223 -5.8797355 -0.7467104 6.7880583 -3.7022462 5.4021893 0.67633665 1.0242139 2.2658045 -1.1272092 -3.358193 0.06819707 4.0234046 4.2548537 2.154935 1.5874573 -1.6827459 -2.6907213 5.2452955 -9.442626 7.467985 1.3298376 2.3725798 7.7878118 2.0667534 -2.9733195 -5.5570407 4.962953 4.0939627 1.0126295 5.739032 3.0905612 3.0172768 1.6679833 -3.6090379 2.2892652 2.003964 1.1278645 0.2868904 -4.5106373 -3.3719764 8.401316 -2.3128772 2.463628 -2.8120732 -1.4526973 0.24187762 -1.3121146 0.03669773 -0.5630718 -1.1331762 3.353458 6.1299276 -0.8563472 -4.8850727 1.2631338 -8.618281 -4.070043 -3.9588037 -1.277685 5.052576 4.645552 -1.2788787 0.97611606 1.2248609 1.7129315 2.3873773 3.0006003 -2.8789623 1.9272673 -0.42514357 4.911016 -6.64109 -0.089248955 -0.61823523 5.650102 -4.073845 -2.658437 3.4279447 1.5501953 0.89356494 0.6724093 -0.93471307 5.599577 5.4980726 7.2165074 4.419822 -0.80645776 -3.9860063 -1.5197728 0.3633414 1.9813306 2.362195 3.8543537 1.8766316 -2.7498865 4.983294 6.8273606 3.9801936 0.82297057 1.0811448 2.0869486 -1.3779162 7.6717362 -3.1544302 -4.701076 -0.23017219 -2.5065756 0.060661018 1.0438356 -1.2928845 -7.573282 2.0642774 1.8770616 4.333709 -0.6620012 -3.049529 -2.3859565 -4.233307 -6.154576 -0.3876668 -2.8478148 -1.344046 3.74332 0.60716724 0.55656886 2.5929666 -2.0320828 2.9446318 6.636403 2.4471133 1.7723522 -1.9601786 -0.27738437 -2.6976268 -5.841799 -3.2762187 -0.3635593 -5.86232 1.4052457 5.8830833 2.7496684 -1.8147463 0.10283835 1.7647494 4.6291614 2.9977477 -2.9998734 -0.522043 3.8546321 5.927709 -6.664313 -1.3334055 -4.710022 -4.026715 2.3833313 -1.5307065 -1.9058032 -1.5371543 -2.6163244 -3.3901417 -3.601777 6.2380347 3.480632 -1.7092367 -2.6528993 3.9997182 6.506991 3.3417766 -4.085791 -5.6694365 -4.7072697 -3.6755977 -6.251729 -7.9341784 -4.1810784 -7.7525554 -2.0972872 1.378583 -1.8003308 1.9419048 -4.7946944 1.1443884 0.8840685 3.7627497 1.3590579 4.095558 3.0469368 3.7057748 -8.344074 1.3782485 -1.76273 -1.1043613 5.3598957 Pentolinium ion is a dication whose structure comprises a pentane backbone linking two 1-methylpyrrolidinium groups; a nicotinic antagonist used as a ganglionic blocking agent in hypertension. It contains a pyrrolidinium ion.
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107738 0.30468222 1.2168974 0.8716869 -3.2029724 1.586817 -4.747927 -1.0559428 0.76445186 -2.9920704 1.6353012 4.2996726 -4.304732 0.6088107 2.2636473 -0.4134944 -2.477035 -1.2914429 -0.09056021 -7.2548394 2.016641 -2.5179884 -4.884248 0.036123484 -2.5934896 -2.278144 2.1128578 -0.0050767325 5.777337 -1.1186211 -6.1993656 -0.7792398 -4.9174933 -2.3067067 2.1554224 3.2163053 3.7725291 -1.4911513 7.2271457 1.3624449 5.243947 -3.1749356 -1.0778886 -1.6083248 -1.3104513 -5.8462906 1.1084577 1.7442775 -0.6806038 -0.007892236 1.5874171 4.783347 -0.06219557 3.7330961 0.085486874 4.255741 -1.8907584 2.307859 -0.6116364 -1.9455042 -2.386508 0.8892588 -4.3141766 2.4324086 3.9445963 -1.0185235 2.6033516 2.008993 -0.18490326 2.607779 -2.502575 -0.17871946 2.5365713 -4.319586 1.8964738 -0.91053987 0.82808095 -4.657984 1.2729648 0.74446803 3.9088113 -2.1299675 -0.95988965 -1.8969306 2.8428113 2.0633159 -1.5989939 1.6514363 2.414464 3.779004 0.058963966 -2.0516489 1.469144 1.7539234 0.680372 -1.9824582 2.5864754 2.8181832 0.59292644 1.0970824 0.15087476 1.9976496 -0.6916044 -0.76304394 -1.4959928 -6.3287573 -0.1312225 -1.2174681 -3.905316 1.2763385 5.613088 -4.111435 -1.3754964 -6.1446424 -0.6528059 2.4991956 4.4047947 0.87687963 2.898542 1.3847941 1.6286752 4.999853 -1.6350427 -1.5807333 -0.4961289 0.67656183 -9.514926 6.6766934 8.252929 0.13220382 3.7373405 4.7047644 -2.1605325 -4.10983 2.5536022 2.3976786 1.8230989 0.87783456 0.34969318 8.282033 1.2855122 -3.2547638 0.8471433 -0.789768 1.6790413 6.4365716 -6.123661 0.83715194 3.6627712 -2.280431 0.5981415 0.9833912 -0.0853975 -7.8433833 0.46899378 -1.2091129 2.0002346 2.1540422 3.6146533 7.173376 -1.3084383 -4.770377 3.7824976 -1.96385 -4.8176217 2.0902152 -3.2869902 2.9880905 5.1973853 -2.3007174 3.7519238 3.778248 6.02563 1.1855216 4.4159036 0.23810485 0.2996855 8.699322 3.280107 -3.6530306 -5.6290035 3.0659564 0.71815276 -3.499929 -2.659155 2.9218426 0.65913004 -6.527263 3.32518 0.6951775 3.215803 6.3027887 7.6164627 0.94921505 -1.8062948 -0.44853124 -0.7941927 2.196889 3.7507777 1.1799779 0.14737704 -3.5928814 -0.91578144 0.91153276 1.0698968 2.0456452 0.4025759 2.1990254 0.054092452 2.8667216 2.9223533 -2.0863836 -0.5131664 0.17428143 -1.4863105 -0.27051258 1.2454908 -2.507837 -0.22770031 3.916149 -0.17477044 -0.58583283 3.792267 -3.0333567 1.6747749 -6.319423 -0.8505222 -2.1165552 1.7472371 -1.45021 0.8810215 5.0419602 3.132006 -2.8062215 -4.526803 4.1173058 1.5531311 5.137194 -1.2569709 -3.7988412 -0.5931123 0.17564353 2.0268438 1.2458873 -1.0871705 1.8312858 -1.3447866 -0.65748507 1.6447792 -2.0231826 0.4020472 2.4322453 3.7595892 -0.71450734 -0.10376038 0.09756013 -0.097818986 3.4947147 -0.47906706 -0.5567956 -2.288817 3.1068063 -3.4495752 0.27108225 -2.80342 4.0055723 2.2655892 0.64217997 -1.9426061 3.7189944 -1.1031055 -2.540832 -0.36374694 4.239316 4.6471367 3.4709418 1.7510562 -0.14616154 -1.7383034 0.01562795 -3.76786 -2.3610902 -0.18434644 -1.1120888 0.98833907 2.5498495 1.7961439 3.607216 -2.6408896 0.72928244 -1.4670947 6.9689693 2.5745356 3.570623 -3.5637405 1.335047 -6.912133 -2.0270517 3.2304735 2.9275177 3.422942 O-propanoylcarnitine is an O-acylcarnitine compound having propanoyl as the acyl substituent. It has a role as an analgesic, an antirheumatic drug, a cardiotonic drug, a peripheral nervous system drug and a human metabolite. It derives from a propionic acid.
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9543329 -0.3581465 1.0027059 -0.2572444 -2.1725862 -0.20669955 -0.9734777 -0.43314222 0.3139693 -1.6084175 0.34994805 1.9217591 -2.8797317 0.1572166 0.54861283 0.30754715 -0.5950613 -0.65795624 -1.4231172 -2.6017473 1.0546308 -2.3815134 -1.1692833 -0.8066444 -1.6700428 -0.9833473 0.2400575 1.0899596 2.2709966 -0.7791432 -1.5736752 0.7957541 -0.95926666 -1.3217657 1.9572434 2.1560173 1.6244731 -0.6228779 0.8063884 -0.77031505 1.223895 -0.5410321 -0.97133696 -1.1980473 -0.8655242 -1.8530507 -0.36533177 1.0803282 0.057548746 0.4524574 2.5286083 1.5482401 0.6350011 0.42046216 0.83205104 0.38412225 -0.3466525 1.7611028 0.6491954 -0.7978848 -1.6980128 -0.33199814 -1.8323445 2.0738697 1.7822385 -0.6630414 0.3882717 1.5555191 0.99660516 -0.63617 -0.5262567 0.045813784 1.8455714 -2.9715238 -0.16706578 -1.1573962 -0.508009 -1.4002956 0.87237746 0.9321928 2.1801019 -1.191122 0.4988043 -1.4831647 1.9508258 0.9287511 -1.4680758 -0.13491933 0.2128202 2.8557565 -0.7658909 -1.2008585 -0.11756356 -0.34727252 0.571773 0.14583427 1.513579 -0.23247334 1.0357563 -0.6457031 1.1064845 0.97286254 -0.5840375 -0.82873863 0.1336708 0.22458136 -0.52150244 -1.2728546 0.2009672 -0.42910975 1.3566765 -1.7056999 -1.7490522 -1.9466674 -0.08313486 0.034207422 -0.5339955 0.44188258 1.3098845 -0.37012354 1.9435437 0.8372585 0.53041995 -0.52108115 0.6332038 -0.0553796 -1.9583972 2.2520983 2.0315752 -0.73696387 0.40255016 2.7494867 -0.9623593 -1.9787786 1.3002654 0.28458595 -0.946584 -0.90686905 0.10491384 3.1827476 0.68785095 -1.5511367 -0.9586524 -0.6492667 1.0413016 1.7160711 -3.4187407 -0.91112214 1.4136248 -1.7523597 -0.216244 -0.26052868 -0.4721261 -2.3994622 1.8653224 -0.08820396 -1.3788953 0.39017746 1.0842636 1.2909918 -1.2645339 -1.0059414 -0.0308161 -1.1422142 -1.8071481 1.1656072 -0.55991757 1.8626932 1.355098 -0.45810688 -0.6138294 -0.9882387 1.8776723 0.38973686 0.13518816 -0.59924626 -1.1396854 1.6338382 2.0289044 -2.9683926 -2.9933643 1.0282291 -0.21831982 -0.58869314 1.0323987 1.4091725 0.6461873 -0.4335824 0.8146315 0.048642874 1.9705541 1.1325635 1.9818408 0.122070454 -1.2516229 0.04301136 -0.16865748 0.6154832 0.6673317 1.1492441 -0.0037114546 0.110542275 -0.1921904 0.5556264 1.5628127 -0.8935221 -0.68365383 0.5924412 0.11362873 0.5871215 0.43238184 0.11630273 -0.31071654 -0.80645037 -0.10382834 -0.06905478 0.7107845 -0.831902 0.70012873 0.20357865 0.04684023 -0.14352605 -0.266133 -0.77816343 0.53807086 -2.203093 0.31632695 0.11013271 0.64570475 -1.4112372 1.2113591 -0.14767817 1.3150403 -1.7001171 -1.0145994 1.467276 -0.35463294 0.63283 -0.16234288 -0.042451166 -0.5207422 -0.7336233 1.6181332 1.41637 -0.60630816 1.4458249 0.5859007 -0.67139804 -0.3792228 -0.72235066 0.8603952 1.1281824 0.8170671 0.18144181 1.0232366 -0.9805647 -0.7733442 0.7482182 -0.41794986 0.1999426 0.9264109 0.7368714 -0.50020003 -0.82775074 0.3238092 0.6200768 1.480518 1.502317 0.7234212 1.5045017 0.0016752407 0.36293173 -1.355171 -0.6316277 0.42810997 1.8423831 -0.17044249 1.2973404 0.856159 0.6761188 -0.5539194 -1.7354853 0.110647045 -0.55974376 1.0070323 2.6651506 0.26472485 -0.53574365 0.5775135 1.3382293 0.109998815 2.1539578 0.011329405 1.4362451 -2.18042 -1.0751289 -2.586617 -1.0516472 0.5589589 0.31765154 0.51656985 N-hydroxy-2-methylpropanamine is a member of the class of hydroxylamines resulting from the replacement of one of the hydrogens attached to the amino group of 2-methylpropanamine by a hydroxy group. It has a role as a bacterial metabolite. It derives from a hydroxylamine and a 2-methylpropanamine.
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7058075 1.8220539 2.5068638 2.2649229 -6.2523756 0.8494543 -3.9576485 -1.3897804 5.000212 -3.8973227 3.116327 3.4364812 -6.423276 -0.19627094 -3.0606177 -2.1511273 -4.2705355 -1.7461569 3.8404748 -6.039618 -0.42742774 -5.16797 -3.5122564 -1.3497604 -10.944929 -1.534733 7.076658 1.0877326 6.3239956 -4.219784 -4.437683 -0.20202418 -4.9221816 0.041329253 4.671445 5.1509194 4.071892 -4.373943 11.902729 -2.1003437 6.970272 -2.866159 -7.6429005 0.41440722 -0.82620174 -7.8086414 0.6176934 -2.2192166 2.6613147 -0.951341 5.129998 5.4234786 2.5889788 4.873087 4.8372135 3.7117841 -5.4685774 1.8321786 -1.6158215 0.57785904 -2.1368058 -1.4635429 -7.7489753 0.46610028 8.455651 4.667265 -0.105578244 -0.6188461 -1.1483531 2.4319105 -2.3914237 0.3036173 -1.0493157 -3.2570574 4.0418277 -2.7137978 -0.7127777 -0.33615774 4.12665 0.26276776 0.48111054 -5.144559 -3.2036881 -0.29815915 4.076399 1.9757483 0.21518672 2.1424763 3.604303 7.879347 -3.8323805 1.2778307 5.897848 4.0540876 -0.8802218 0.08383238 -1.2192762 1.096051 -0.21926326 3.3062859 5.973108 4.3830338 3.5419233 -4.3822064 -0.97619927 -7.5472355 4.143065 1.694598 1.417091 3.7772033 6.629371 -3.778951 5.138948 -5.971538 -1.2475843 1.876778 -1.4247894 0.023512304 2.028275 4.0542126 7.8896055 9.588121 2.835531 -6.662388 -0.68457407 1.9094385 -10.380064 5.039045 7.67816 1.0597062 3.9165852 8.727161 -6.284646 -3.0170436 2.7334542 5.083299 -1.1849911 4.4096055 1.7031757 11.615308 -0.9334651 -5.8904195 1.5171279 0.82118607 4.8213196 8.986289 -11.41027 -4.4563637 8.917994 -5.8846927 1.8219784 3.417785 -0.1544751 -5.1641874 1.477974 -4.4453206 3.4848754 5.8116174 7.9027166 11.397086 0.20634225 -8.602849 1.8110824 -4.6000185 -6.2465873 5.8483653 -0.00078784674 4.6762924 7.353037 -3.6358063 6.290019 3.0869553 5.88807 -0.67787313 0.3861968 -1.7516309 -1.1164714 10.1619215 4.2057004 -9.111282 -10.588266 1.6911083 0.6064674 -3.9956565 1.4606422 5.163606 3.061175 -1.5991668 1.0449073 3.9102783 7.367146 3.2206144 10.265169 -2.8957891 0.57543087 -2.3841128 2.0181272 0.6842837 5.8886046 4.040947 0.6155198 -6.8219337 -1.1278661 3.4903536 4.52158 1.1768079 -7.00765 0.9060013 0.74074227 0.18112716 0.9901773 -3.2983055 -0.66038203 3.552957 -7.6368623 0.93988985 -2.1090353 -7.111199 -1.6200817 6.775117 -2.7003043 -2.451564 4.128853 -4.5485964 4.375127 -14.136159 0.8345878 -2.9646277 0.8100655 -5.44548 5.31959 -0.87748927 1.3051062 -5.2236767 -2.9769397 0.33861616 0.3060973 9.264442 0.33153075 -2.7435403 1.933217 0.09361175 -3.240393 1.6207306 -2.3840656 3.5083675 2.3912396 2.3782585 -1.300074 -3.3159273 5.294182 5.7451487 -0.9024519 -1.3407482 2.106423 1.0570487 -2.3594809 5.0678706 -6.7736607 -5.7349257 -4.2307563 1.0941652 -5.512069 0.40223566 -3.02058 3.970605 0.07022402 0.8595155 -5.544145 6.260563 -2.8229673 -5.160096 -1.9435439 2.9732077 3.1917953 1.1698874 8.8132305 -2.3167865 -4.0553746 4.043975 -3.7980382 -4.6513987 -1.3475232 -2.5889838 -3.8739207 7.2205863 1.8760332 1.2564663 -0.17597635 5.322114 4.398433 7.604518 2.253388 4.45 0.22927374 2.4739053 -6.2381506 4.5370107 -0.46206355 5.1618514 4.6479115 16-hydroxyhexadecanoate is an omega-hydroxy-long-chain fatty acid anion that is the conjugate base of 16-hydroxyhexadecanoic acid (also known as 16-hydroxypalmitic acid or juniperic acid). It has a role as a plant metabolite. It derives from a hexadecanoate. It is a conjugate base of a 16-hydroxyhexadecanoic acid.
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1989 0.87586486 3.393888 -3.0063365 -4.3741117 -0.27514428 -5.6676283 -4.9726763 3.70245 -4.4190154 3.901554 6.9387712 -5.157189 -0.35001102 1.914927 1.4325259 -2.0873764 3.6348276 -0.73123324 -5.7832236 4.5080943 -6.206561 -2.6473417 -3.7469912 -4.8410006 -0.66114444 -0.70363784 3.0231214 7.8827987 -3.3623946 -3.9859633 -0.012948236 -0.59471196 0.88925993 6.388406 2.5048888 3.496866 1.2980607 2.4512463 1.3177392 1.0219421 -3.5993285 3.4041674 4.7244506 0.08660762 -2.974043 -1.6654446 6.3691287 -3.4645472 -5.369775 5.382009 6.506301 1.9244941 3.2086406 2.588133 0.7603861 2.4841306 -1.957357 1.6762135 -4.1750226 -1.3963672 5.237956 -1.2790442 0.4263099 1.6200426 -5.018003 4.39454 1.7824235 1.9303143 1.3371335 1.0456243 0.90375185 1.2664447 -3.5503867 0.067474276 -2.0159512 -2.7946172 -5.630188 6.4145308 6.5104623 7.5500207 -3.1154013 -4.9809833 -1.7775952 4.8117046 2.36842 -4.5265136 -1.0635811 -1.0575302 9.4609165 -1.8494049 -1.0437742 -4.0182753 -3.420488 6.2767067 -1.7150612 3.6259887 3.3028622 -3.5659301 -6.0223827 1.112329 -1.7556728 -4.0315714 -8.1192465 -0.52728057 3.7125456 -0.007912748 -5.0161953 -5.539014 -1.2307816 5.391459 -6.956068 -1.344912 -0.5325078 -1.0497934 5.442719 -3.8695023 3.865186 3.6598792 0.9754195 8.73345 0.4934141 -1.4337692 -3.0715704 -3.7567115 7.0795493 -4.5033674 8.947412 3.219449 -0.11587751 5.6282973 5.6969843 3.05948 -9.605764 7.8581486 6.12482 0.1543964 1.2806029 -3.2245653 5.0468664 6.14135 -1.5564042 -2.1609476 0.13763395 3.5824769 6.3616476 -5.2837625 -4.632646 7.047538 -4.2464232 0.5293118 3.4017694 -2.7912157 -3.8522363 1.1891797 1.1126703 -3.2198176 3.8600795 -0.20772399 3.655806 -4.861411 -4.4805055 -2.1394165 -7.9173274 -2.0176196 0.78919417 -5.7553406 8.829476 4.614502 -5.743194 -4.0809655 -0.731778 -0.4610257 5.7225757 0.4641034 -0.32465336 -1.5533078 3.4215887 5.0828958 -5.069624 -1.0697149 5.262292 2.6326184 -4.474742 2.6271784 2.9133224 2.1656945 -2.1462064 1.1660907 -1.4990971 1.2082647 8.426516 1.4423965 4.8903046 -1.8245525 -3.4252172 -1.7853799 4.3528805 0.044793747 0.1556238 0.17961958 -0.009072907 -8.036113 2.7447863 6.733804 1.0870789 4.4896927 2.7224584 1.1325607 4.1650977 7.3591294 -1.6455172 2.8552694 0.23085907 1.9078138 5.4333715 3.1006958 -2.4769027 -3.1242783 -2.6797452 0.68035597 2.7151759 -3.402507 -8.188623 -2.2454796 -1.9114461 -0.9577175 2.5628748 -0.03771487 0.21958089 2.8345091 -3.1073623 4.9079137 0.14429331 -1.3364713 -0.12932721 4.1315546 -0.7483248 0.44834065 -0.30415562 -2.4452655 -0.67314714 -2.6112044 -3.300717 -0.12116417 -5.3482904 -1.2985895 6.159141 0.2854462 -4.905676 0.56785333 3.081294 4.6000876 5.3584137 0.82623136 -6.7765555 2.5144985 3.683286 -2.729818 1.3447123 -4.836434 -2.264056 -1.6208911 -2.6409101 2.9616032 -5.021112 -2.020015 -1.140411 2.8865895 4.3136525 4.224279 0.80841285 -1.9624077 1.3183281 7.112546 8.50745 -6.2725983 -2.0950723 0.5125102 0.56651914 -1.6072252 -8.6813 -5.1225176 -2.038912 4.998443 3.7131681 -5.78762 2.5075998 -2.2459092 5.242069 -0.29128343 6.1612935 -2.361488 5.9676 -1.4387555 -0.50215334 -7.1544886 0.50689006 0.7149626 1.489552 5.3940053 Acetohexamide is an N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is replaced by a p-acetylphenylsulfonyl group, while a hydrogen attached to the other nitrogen is replaced by a cyclohexyl group. It has a role as a hypoglycemic agent and an insulin secretagogue. It is a N-sulfonylurea and a member of acetophenones.
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90659849 0.9313439 8.125414 -5.9232826 -4.7236953 -1.3133649 -3.3470557 -9.507253 2.4769366 -1.8336055 1.5042903 6.42568 -8.380086 2.4845266 13.687318 2.3373625 -3.3010728 5.128383 0.7535521 -11.6998625 5.7904797 -3.1188188 -1.7137139 0.59353185 -6.1461787 -3.0252671 -0.9807196 -1.9639184 8.250929 -3.2827933 -6.252342 -0.7528013 1.6397779 4.307721 9.12941 2.4895666 7.1414113 0.617609 2.7566578 2.1117992 -0.97700393 -0.98952734 1.8568146 2.4336417 -5.7457795 -2.8888154 -2.6593087 9.476196 -6.7441387 1.230913 2.4251814 6.239269 -1.2727876 5.1199465 5.544395 0.17499414 2.165903 -1.0732362 -6.6489825 -5.975018 -1.7773212 -0.57857645 -3.0586982 -1.6631508 5.744452 -3.457361 0.044171274 -1.1565844 5.5792756 -2.510074 3.208703 1.7245691 3.228377 -4.463682 -3.347527 -2.7745578 -1.9920048 -6.1532454 8.811328 11.228452 10.230309 1.6060624 -5.351072 3.3482044 4.3121405 -0.713867 0.4575132 0.9979205 -0.043239743 10.416508 -6.963018 -6.856072 -5.858921 1.884045 0.86739033 -0.41339087 5.1273904 0.98879296 0.5460304 -3.351531 1.6410868 0.37907723 -10.514127 -7.3583364 -2.973316 4.002552 1.0857954 1.0158345 -4.8012605 -0.5414917 5.1322966 -3.1211374 -2.397322 -7.6317024 -7.417411 5.6420794 -3.90764 3.7286453 1.3442879 1.0731882 6.676892 4.361385 -3.5587518 -6.2851973 -2.60105 8.122009 -8.52133 11.138462 2.483655 -0.27223295 4.901335 6.003913 -1.2692553 -11.174366 4.222618 10.894487 2.797242 0.16328898 -1.4751318 6.3605328 9.579813 -3.4123282 -1.498658 -3.7239656 3.1062732 10.127882 -8.257281 -5.8003407 7.433257 -8.703328 1.8800288 7.9849977 -4.1270266 -13.447664 1.9863122 -2.7584805 -2.7962363 5.125059 3.8610463 1.2965167 -10.847927 -2.6378756 -0.03554967 -8.801053 -2.5475457 3.8891072 -6.3130794 13.780964 7.737721 -2.7670274 -0.68623704 -0.74094844 -1.7057086 8.978856 -0.4277639 4.2607327 -4.023639 5.0844116 1.8386313 -2.412706 3.0907483 6.7519484 -0.47882432 -3.9549959 -3.9948492 4.271114 -1.636134 -9.803505 6.9646435 -0.7789743 -0.14832275 11.9038515 0.4298473 0.12459807 -4.29818 -3.5514288 -3.5549958 1.558083 -3.9938707 0.5247262 -1.7529302 2.8676937 -8.455677 1.7399542 3.4572504 -1.1400164 4.320022 0.20766485 -3.1594412 8.14916 3.7648482 -1.423748 10.587036 5.975863 5.1369057 6.894307 3.6729894 -1.132477 4.731653 -2.0937626 -0.85933524 3.9704602 -13.958863 -6.971817 -1.9568868 -10.404574 -1.584057 10.70955 -9.179365 2.7670436 -6.543931 4.4860806 11.309989 3.1448166 -6.524804 -0.44632486 2.8278644 -0.056415506 1.3251843 1.8698308 0.5160698 1.7002044 -7.5270724 -6.371425 1.7149088 -3.6742773 -3.739838 8.144496 2.5270567 -5.289722 -0.19519646 2.7360258 5.479811 5.0389977 -3.668374 -3.826121 0.655205 6.1428065 -3.492334 0.94357216 -10.685982 -0.1336842 -3.2465658 -7.819231 6.5327935 -7.447811 0.08081567 -2.6407566 0.5123256 0.4116287 5.7849355 0.8310798 -0.41958517 4.1870294 9.655391 11.290635 -8.15622 4.0202165 5.0665736 -1.0343618 -2.7165458 -9.487487 -7.058272 -4.832621 7.8236547 3.3483026 -2.441693 3.865599 -0.50473464 4.713659 -3.179163 3.4663503 2.0147092 8.141487 -5.318432 3.6884975 -6.334488 3.1086574 5.7722507 -1.2064986 3.7659085 MS-566 is a member of the class of thienotriazolodiazepines that is the methyl ester of [(6R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid. It is a member of monochlorobenzenes, a thienotriazolodiazepine and a methyl ester. It is an enantiomer of a MS-417.
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160717 -2.6167498 2.6070597 -2.965145 -2.868162 -1.4277507 -5.6839013 -4.291224 1.2043871 0.47500008 0.000950858 7.2069225 -8.723427 1.6739464 12.208453 5.843404 -0.6975813 5.0265512 1.9916904 -10.47948 3.975028 -1.3218955 -5.558185 2.7058063 -4.766396 1.5479459 -0.75079393 -1.20305 8.249753 -2.8339157 -3.5801136 0.006750047 -0.23158237 3.2621555 4.954837 0.16542068 4.7926126 -0.6607586 1.613133 1.090724 -2.8928525 0.086214006 1.2531472 -0.60055876 -8.783137 2.6701725 -3.610223 7.749486 -4.732097 3.0500185 5.7659807 5.790237 -1.7147206 2.541867 4.8890944 -1.8055515 2.590013 -5.746077 -4.4774203 -2.3646688 -1.3634114 -4.2644486 -0.9048055 -3.3921037 1.641089 -1.9520061 -2.3717287 1.7560867 3.7936068 -2.918065 6.1563163 4.597953 -0.19355166 -0.44596118 -0.7442193 -2.4045193 -4.6949644 -7.212887 10.254166 10.069608 10.014178 0.69959724 -3.893808 0.07127559 0.9511196 0.54280084 -0.37220183 -1.061736 -4.6152997 9.684401 -4.2168164 -2.5611296 -4.5650487 -1.0298101 0.059073135 1.9190401 2.8907573 2.9013622 1.4575671 -3.9969225 0.8971181 -1.2408918 -8.485619 -7.591282 -1.5657445 5.427989 0.5748908 -0.74177665 -5.244155 1.5454806 -0.46640855 -3.974786 -3.1468313 -2.553875 -1.0640988 6.551215 -2.5143027 1.8271167 -2.2039526 2.0451727 6.054089 5.1278625 -0.6124923 -4.7262454 -2.0978515 7.993805 -6.3409524 6.3933597 3.8049235 -3.359265 2.1215825 3.4132514 0.56089455 -8.447816 -1.7860135 10.359534 5.797718 -0.5594819 -1.7599738 3.8461986 9.541602 -5.320286 -1.9617903 -5.1427665 2.6534986 8.213721 -6.4951687 -3.5393162 -0.5582207 -6.168307 1.8348747 8.32467 -3.3612366 -15.510691 3.5677893 -1.6220086 1.947343 6.16112 0.649308 -2.046835 -7.8378363 -2.090915 1.0753264 -3.178352 -1.5835569 7.684981 -4.097639 8.581085 4.697737 -1.7981815 -4.7565713 -0.27394682 0.6513462 5.1380606 -2.541957 1.2933277 -2.5154397 3.723519 1.8613334 -2.2580087 4.3482943 4.1682143 -0.86506283 -6.9417696 -4.344538 2.4540489 -2.853035 -7.0814414 5.9771433 -0.42132643 1.2942734 2.0824244 0.34213132 1.5704813 -0.2902545 -6.9208503 -2.3774972 3.1037993 -4.1050277 -0.98828775 -1.148757 2.2623947 -7.6475854 2.303069 2.5653822 -1.1678884 1.5287174 -1.762652 -3.6464772 4.697597 1.5029546 -0.115489684 8.866683 0.7333068 1.1029563 3.7801156 -0.09790207 0.07373295 5.288776 -0.059461415 -2.3796012 2.2760139 -7.803761 -4.533275 -0.82974786 -5.9663796 -2.2979457 7.2599406 -4.2735095 1.7493404 -6.8136225 4.6221814 10.23504 3.3469956 -4.3870606 -2.4446664 0.28433713 -2.4032412 0.6040567 2.5584252 -3.0937288 -0.79312265 -6.2112083 -5.799831 0.13272615 0.5865868 -3.7312925 4.2196007 -0.67410266 -2.1760912 -0.4180203 1.6023238 6.0894566 4.2908597 -0.36182946 -2.6175456 -1.2590318 2.2757158 -3.92792 1.8564484 -6.1490374 0.35067856 -6.7115254 -6.549344 4.385742 -6.0593314 0.9700452 1.1466048 1.1411684 -0.44092044 4.1158204 2.4217482 -2.716651 0.44095677 10.368964 8.818857 -2.637281 4.680208 4.70981 2.7859101 -2.2585897 -10.161384 -6.9607825 -5.816811 6.9664397 7.1668043 -5.5217977 3.029857 0.1372434 7.5047827 1.1852553 -0.5927521 1.2378132 6.9161134 -2.6915655 1.9765285 -5.4242487 3.2714083 -1.2646286 1.5930578 6.4627237 Questin is a dihydroxyanthraquinone that is 1,6-dihyroxy-9,10-anthraquinone which is substituted by a methyl group at position 3 and a methoxy group at position 8. It derives from an emodin. It is a conjugate acid of a questin-2-olate.
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5054 -1.1579851 1.0147489 -0.4123357 -1.5555979 1.1992218 -4.0975676 -2.0339565 1.1389384 -2.1965036 0.7384732 2.4607637 -2.5406399 1.1719502 3.370584 3.0477965 -0.2059069 1.3160726 0.30684072 -4.165478 1.8091279 -1.4083707 -2.3298378 0.76010716 -2.9758961 1.3583103 -0.4062999 -0.4184146 2.3229237 -1.0276506 -0.9659054 -0.8562557 -0.9716825 1.1341867 1.1034191 -0.66675013 1.3492397 0.91149807 0.50538176 -0.054734997 -0.765672 -1.4267412 0.6612689 1.062731 -2.0747523 -0.26817212 -0.8736279 3.2145438 -1.059015 0.3742974 2.9344506 2.590567 0.5947651 0.71783274 0.903195 -1.7352116 0.9065813 -2.847394 -1.9163262 -1.4280127 -0.00057719275 -1.6424081 -0.6695067 0.037181165 0.048501045 0.012292424 -0.42381227 -0.33627033 -0.2918426 -1.6322405 1.8187093 1.2780861 1.1951975 0.018865645 0.91282123 -1.1098855 -2.088284 -2.2131875 3.4139137 2.3565125 2.2258005 1.3156645 -1.4921871 -0.33037478 -0.427505 -0.4899646 -0.8680241 0.81807935 -1.5702776 3.7227893 -0.8525589 0.01250755 -3.4648066 -0.46941048 0.30852807 0.6169158 0.3246593 -0.28836203 0.592975 -3.6696792 -0.13411972 -0.40643132 -2.3316755 -2.8945377 -1.238171 2.356793 0.7453732 -0.68462837 -1.8448552 1.0206819 -0.9970491 -1.5828139 -2.0685737 -0.9064232 -0.4606361 2.932415 -2.2055855 1.6770015 -0.78682965 0.2373873 2.560864 0.627498 0.05387469 -2.1505342 -1.1723623 3.6815414 -2.5487764 0.6864852 2.9290473 -0.31335276 0.037736513 1.1510488 0.3093827 -2.985815 -1.1494406 3.1963909 2.2692773 -0.9460441 -1.8351063 1.1706829 1.8100517 -1.1281292 -0.11105752 -0.53171074 1.866402 4.851199 -2.9936676 -0.35735637 -0.21163455 -2.5973399 0.8417843 4.303049 -2.0928824 -5.605313 1.2082696 -1.3591373 1.3187116 1.9265151 -0.27208456 -0.2744939 -3.647761 -0.5653466 -0.53943175 -0.5545569 -1.1489269 2.6210966 -0.8486298 4.9566627 1.3472991 -0.61261255 -2.6897311 -0.43361047 0.12133919 2.9572108 -0.5436393 1.5962456 -1.4593801 1.6820552 -0.14550216 -2.6400154 1.0364159 2.8650815 -0.44144014 -3.807096 -0.7980965 2.016501 -0.32597053 -2.697445 0.5289379 -1.2224767 1.3952277 2.8809721 -0.78863364 -0.014757615 -0.40798473 -3.3823547 -0.43490887 2.3272638 -0.7805761 -0.7804626 -0.98415357 1.0166038 -4.275703 1.3921428 1.0235555 -0.3765931 -1.0469818 -0.07377507 -0.7675629 2.4731445 1.3367039 0.12286719 2.7570982 -0.021615282 -0.1572783 1.8536761 0.16267556 -1.0810155 1.1001364 -0.27069792 -1.9408476 0.78109413 -3.530399 -2.2834368 -1.2828181 -2.8958368 -0.1673823 2.2228303 -0.71466434 -0.531165 -1.7387391 1.3918205 3.7261682 1.2215408 -0.49679172 -1.7090931 0.0749089 -1.8159443 0.7268714 0.64748394 -1.6693207 0.04196576 -1.1716319 -1.3388298 0.22637205 0.39923084 -1.1026694 0.55154246 -0.6418667 -1.1776501 1.2649677 0.442973 3.2000983 0.2732822 0.34737802 -1.4770966 -0.493438 0.9926992 -1.9661801 -0.37935624 -2.174811 -0.52777183 -1.6134354 -2.7776291 1.5528159 -3.3141766 -0.980805 -0.50852203 0.6596916 0.18791349 2.2354913 0.88187915 -0.909419 -0.12334496 4.3254776 3.5314076 -1.3501015 1.6355051 2.37488 0.53088963 -0.30028796 -2.5867727 -3.1529977 -1.8518345 2.4896386 2.157144 -1.6492115 2.1745782 -0.32909966 2.590274 0.55273056 0.73277444 0.5836612 2.326261 -0.5338152 0.417186 -2.0102725 1.4275259 -1.6727334 0.9719329 1.0554829 Resorcinol is a benzenediol that is benzene dihydroxylated at positions 1 and 3. It has a role as an erythropoietin inhibitor and a sensitiser. It is a benzenediol and a member of resorcinols.
|
56927953 -2.8204226 6.410957 -3.4000468 -2.0858984 -7.3958406 -13.982883 1.6312356 -1.2738585 11.581572 10.799533 6.7435064 -5.9429474 -12.410855 19.21109 6.531414 -0.6469017 17.116922 -7.8841977 -34.1655 11.131235 -6.9058175 -26.978247 -14.885071 3.4314737 -11.360809 4.8570914 -2.3056056 15.085179 3.4516282 -15.174676 7.8239555 -5.790683 -4.1555576 14.717333 27.053345 -3.0815523 -7.9815507 17.229853 -10.14574 -6.579145 -14.755027 10.732198 5.5398583 -10.738553 -4.0188727 -6.7200437 -1.4920273 4.3359776 2.751743 22.41319 10.061178 -12.899036 15.2130575 -2.394128 14.102547 10.539778 -11.643735 13.692755 -9.888712 0.039873093 8.613512 -5.465988 -2.0607574 24.837677 -7.7661214 -5.1883197 9.720778 12.100313 2.2077248 -9.364916 -10.115913 1.3035845 -21.13247 4.090701 6.2567987 -6.2875986 -16.555481 17.668156 4.920597 11.394359 -12.661756 -0.9945637 -0.59089464 12.035743 4.199392 -8.603297 11.4854145 -8.504924 16.850805 -8.802681 -0.9339884 5.116378 -3.79367 -0.48893023 -8.827218 6.1558065 4.574207 9.496564 6.636647 -8.120099 11.95417 -14.420241 -15.965237 3.718215 16.1612 10.896148 -2.5888395 -11.419264 -7.983863 11.291234 -14.102549 6.2870135 2.639669 -8.082497 22.290564 -11.542427 1.6046697 3.5543785 11.736666 10.60644 6.300296 8.076065 -10.253823 -0.17553534 13.566301 -29.312597 23.308104 4.886902 -13.628551 16.02774 3.9432337 1.4077839 -23.179844 18.566074 29.148373 7.7337656 11.611891 1.884488 18.807667 22.063301 -8.903923 -2.6215508 -5.785514 0.9947163 12.570316 -4.944364 -11.388368 17.324055 -18.80491 -2.0284083 1.5426252 4.0448923 -22.295258 6.088673 -1.0353166 -1.8359691 21.642117 8.013114 17.66591 -14.238452 -17.562729 3.5414248 -11.286373 -0.39102665 0.3315127 -0.7063232 31.883131 15.994809 -21.964525 -5.8062186 11.455503 22.343287 4.8817816 2.7876217 -11.092526 -5.6309614 6.9785404 15.182018 -2.6336436 1.6282761 -16.938522 2.879115 -16.149717 -1.1331594 1.1899573 -10.904589 -6.3344383 2.155071 5.5467634 -1.3752674 6.707111 9.425568 1.9849503 6.2686954 10.709387 0.46229637 8.415049 -1.9601215 2.0673833 10.106768 5.120822 -0.9437733 7.5247355 20.871408 7.8095 2.487578 1.7913098 1.0440778 1.6832145 8.586007 3.2771063 -4.477793 -4.816228 -13.767156 -1.9659448 8.699909 5.876807 4.183402 -1.5004772 -1.4610327 -1.109435 -10.497238 -0.27808112 8.099637 -6.825944 -14.542879 -13.287916 2.0892518 5.5029764 4.705921 4.7217584 1.1527717 5.538727 0.43484673 -4.8490357 0.56006545 8.533345 -4.125333 -15.756527 -14.64275 -6.0672193 -0.6926761 -6.56863 1.3075439 2.4149501 -1.684867 0.9981525 -0.80039704 -2.6359496 -14.2686615 9.777746 1.6322035 -8.616418 14.531409 6.647459 10.896341 5.983242 -14.417987 -2.018874 7.070023 -14.548014 -0.7297457 -9.118984 -6.220026 -3.8281584 -2.3381436 6.4183674 0.22975868 13.986795 -1.1010207 4.837904 -12.330384 -0.9489814 4.8465247 13.260048 3.634638 -1.9770559 -0.36568865 2.118021 -1.1594746 -14.161829 -8.86313 -1.5959826 10.736506 4.9845047 -13.995561 -13.561112 -5.131897 20.391943 8.79994 0.3799491 -14.1370735 27.641773 -1.6191009 -5.548596 -24.942356 0.6055513 -5.917987 5.7231236 11.346488 Erythromycin C(1+) is an erythromycin cation that is the conjugate acid of erythromycin C, arising from protonation of the tertiary amino group on the 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residue; major species at pH 7.3. It is a conjugate acid of an erythromycin C.
|
9543540 -1.0741534 6.8136106 -1.238495 -7.123032 3.3865654 -7.5132675 -6.62627 5.874188 -6.5538616 2.686615 4.3924036 -4.6611366 2.4157612 -1.0279044 2.1118436 -5.088577 2.166701 1.8330772 -9.502128 3.7832346 -5.904172 -4.375372 -0.781559 -9.08384 1.3105047 2.0344033 1.1210815 5.825661 -3.706834 -8.567845 -2.0377824 -3.942861 2.379591 4.749128 0.648167 6.5658484 1.0087463 7.671066 0.4078077 4.641395 -4.876268 -0.041677497 2.7160416 -3.023701 -7.5285325 -1.5999985 4.3408923 -1.3777791 -3.4163759 4.9876566 8.581125 2.3020327 4.941925 3.7938333 -0.94488335 -3.5689116 -0.027700737 -3.6065378 -4.3810225 -1.7501746 1.4139543 -1.6686019 2.019981 3.3697288 -0.73039407 4.143162 -0.344306 0.6241442 -1.163327 2.2505279 0.5869827 3.7061634 -5.8842545 2.7548146 -3.8038597 -0.5780846 -3.3088946 3.8307133 3.8000052 7.461348 -1.7390149 -5.0758266 -0.7545626 3.926324 -0.7887881 -2.110771 1.4128305 -0.97575665 8.508475 -2.2783437 -0.7942943 -2.7296054 0.47047642 4.5150433 1.6662393 0.8963593 0.8440838 -1.3415588 -6.3355565 1.9536785 -1.0719596 -0.088300936 -5.2018156 -2.3215175 -0.81537926 1.0616055 0.6457163 -5.5008497 2.5663033 4.369936 -5.733085 -2.809302 -6.87999 -1.2695286 4.5412073 -3.4676075 4.0171847 3.7596698 0.47941732 7.970232 3.9612136 -2.223434 -5.6030493 -1.3703443 9.2523365 -8.794954 7.1363378 8.049331 1.0933456 2.9180977 9.463105 -1.443274 -6.481768 5.122733 5.94931 0.6916168 -3.7160244 -5.026522 5.9182615 3.5985851 -1.2630899 -0.5610802 0.8975832 5.182025 12.3067 -10.516588 -3.17223 5.3055673 -8.298717 1.562886 10.567945 -5.79852 -10.520047 2.5393288 -3.444371 -0.23549151 5.080423 2.12686 6.661607 -7.962338 -6.117096 -1.3913007 -7.0834208 -4.5917516 6.900428 -3.353763 11.095729 6.8332114 -5.2908716 -2.1180236 -0.5589959 -0.30117324 5.3036385 0.06374675 3.8642273 -4.6500597 8.468409 1.914144 -10.631184 -5.806091 9.273735 -0.7536637 -5.2167006 1.6609228 6.4904537 4.1498017 -7.5117354 2.9266872 -1.4391341 3.8630233 8.813912 1.4000665 -1.5205152 -3.491313 -6.096186 -2.2164004 3.1314564 3.6564765 1.3550475 -1.8608913 -2.9689348 -9.920745 3.2441068 3.9940023 -0.5030525 -2.058662 2.6448786 -0.68379545 5.702078 3.5994177 -1.9199362 7.6032767 2.754794 0.02191668 5.3606977 0.8113106 -7.720432 1.4262725 1.9568998 -3.1660156 2.2699687 -3.3951318 -8.714259 -0.6049046 -11.753126 2.9759123 4.793824 -1.2013975 -2.1425705 -0.22688526 -0.04907807 8.410789 -2.367254 -4.4597507 -1.9584322 1.7250526 1.8322916 -0.20374611 0.64144707 -0.8669598 1.0260465 -3.8108058 -2.1781857 -0.88063 -0.068757355 -2.4500937 4.092644 -2.447271 -5.040797 5.7357416 4.6777353 5.586088 3.4625673 -1.199813 -4.3794804 -0.25955483 7.620642 -5.2013683 -1.1139905 -7.8727736 -0.7908383 -5.495174 -4.3945723 2.2852952 -2.2879722 -1.8307843 -1.7737129 1.5072778 3.9622111 1.492558 -0.3325325 -0.93707836 4.5543637 7.8216186 8.13922 -1.6703169 0.8678101 3.2514913 2.1919065 -0.85217315 -8.342734 -5.7017965 -2.7535665 4.635038 6.2249002 -0.5513476 5.2125716 -0.8328446 5.500571 -1.5325258 7.3466225 0.07781942 6.5502763 -1.3533826 2.295209 -6.673298 4.275378 1.3061608 1.6787307 4.6590343 BML-210 is a dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and 1,2-diaminobenzene. It has a role as an EC 3.5.1.98 (histone deacetylase) inhibitor and an antineoplastic agent. It derives from a suberic acid.
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5366415 -0.033310644 0.03509058 0.52754104 -0.053623922 0.7606549 0.05199678 1.5223029 1.230631 -1.84441 2.2103696 3.436772 -1.0937228 1.7888541 -2.4581594 0.7463415 -1.9161801 -0.75162375 -0.8432833 -1.6646811 2.7547896 -1.8959806 -0.87534684 -2.8081927 -0.85749274 -0.6374368 0.8351102 1.2113627 -0.7837315 -0.4378882 -3.1285045 0.21828005 -0.77298063 -1.0093452 3.3540053 1.3594506 1.2166449 0.21765125 2.4506762 0.75769824 0.90128905 -0.5951644 0.1477677 -2.1492012 0.5821095 -0.15975787 0.83250797 0.87215483 -0.41362938 -2.4936376 0.90991706 3.3237977 -0.9180013 0.9665894 1.4495009 1.9018273 -0.24166183 0.9534576 1.1394303 -0.8698728 -0.082996264 1.963139 0.3963174 2.30075 1.4481575 -0.5511509 1.3831335 -0.23132159 0.030345093 -0.6532779 -0.07128708 -0.23295546 0.030622616 -4.7429976 0.34703583 -1.268437 -0.25933385 -1.416676 -2.191204 1.7342254 1.2581455 -0.08697262 -0.39488187 -1.6417185 2.8336024 0.13837421 -1.5839511 0.5852401 0.918883 0.19151787 1.5206 -0.26187032 1.3944231 -0.89580333 2.3739734 -0.87263227 0.6780549 1.7418301 -1.3014209 1.5697236 0.24366155 1.03121 0.64198273 -0.52428085 0.8758687 -0.82656074 -0.6538217 0.37791985 -0.6757406 -0.4645095 3.4979458 -2.277621 -0.35157752 -2.253416 -0.34272316 -1.2252091 0.4240579 0.824521 0.7106952 -1.8165632 1.2725602 1.9005111 -1.4039509 -0.0028666258 -1.0091316 1.6291102 -1.3410875 3.395258 -0.37227446 0.5527149 3.3005502 2.05662 -1.4754906 -1.9684916 2.8809826 -0.34569922 -2.3109777 0.31742138 -1.1329337 2.2744973 0.5580587 -0.9479979 -0.43763712 1.4582653 0.054813333 1.127419 -0.43131202 -0.8999776 1.9686738 -0.8923639 0.37188163 -0.56902814 0.06386448 -1.9759192 0.4526159 0.2329306 -2.1233258 1.2385505 -0.62066567 1.3363875 -0.9489673 -1.2283309 -1.4379987 -3.377235 0.9369918 2.5061278 -0.27752405 1.7641674 3.2387366 -2.3592913 -0.9342006 0.54620343 -0.2572527 0.90137887 0.19089875 0.7084388 -0.31668133 3.0050344 1.7974099 -1.2289429 -0.5218264 0.2005075 0.16803272 1.2457969 1.4031373 0.25995356 -0.76504457 -1.5569752 0.4858255 0.26387307 -0.75274765 1.8787249 0.7704433 -1.0099883 0.067997456 -0.4739795 0.6434702 1.8359014 0.33781084 1.0699414 0.38367757 -0.30686635 -1.4697801 2.0107632 2.4677026 -1.2641506 -1.7877681 0.83985937 0.8257185 0.5070106 1.4469944 -1.3715429 2.269014 2.462291 0.9541775 2.5470762 1.1722276 -1.8661511 1.4601393 -0.105045155 0.032039512 0.4889028 -1.4809792 -0.8603339 0.39413974 -2.5471842 -0.37382236 1.3868449 -0.06859013 0.50552565 0.37907776 -0.2868866 1.5847877 -2.3430681 0.043385502 0.56192666 1.0158584 -0.7454175 -1.0270512 -0.37911126 -0.04364141 2.9243774 0.5617596 0.9344317 -1.9145598 -0.79582167 -0.45084587 0.96286464 -0.7169219 -1.5361571 1.489766 0.85898495 1.445792 2.761045 1.660274 -0.7293345 0.19547978 0.6843682 -1.9381506 0.35094517 0.15092756 0.94108486 -0.4810858 -1.1166353 -1.3899344 -0.49743724 0.3657913 1.590696 1.4386052 3.0094109 0.5659471 0.8451581 -0.42918286 2.803393 0.74812025 0.7582212 -2.2651556 1.7922363 1.3157023 1.1040637 -0.049904518 -0.114674926 -1.8160746 -1.9941397 -0.26876947 3.2153893 -0.13641453 0.9868429 0.7013064 0.1545884 0.19237602 2.8545783 -1.5118535 1.0997255 -1.8204248 -0.37647706 -2.0069757 -1.1218619 1.7434435 2.7366717 -0.31438497 Metam-sodium is an organic sodium salt and an organosulfur insecticide. It has a role as a proherbicide, a proinsecticide, a profungicide and a pronematicide. It contains a metam(1-).
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11647495 4.0947833 8.719865 1.8489187 -6.347481 2.557169 -5.9872866 -2.5233707 6.4511065 -4.601459 5.2334223 8.455488 -7.777811 0.9548377 -0.5473407 -0.84328866 -3.6656375 0.023226663 6.17715 -12.859159 1.9212112 -6.597705 -4.847398 -2.28352 -12.718305 -5.9055843 7.2395725 0.23917371 10.722025 -6.47885 -5.6350107 0.71898013 -3.3973742 -1.889045 6.7073956 10.3214 6.917688 -3.2155504 15.029095 -3.5994542 3.954848 -3.0263302 -7.8896804 -2.8199892 -4.0691934 -11.250131 1.4783663 -0.3215417 2.2429872 -0.9757485 6.1492124 9.04677 3.870597 7.0588274 5.435685 5.9622545 -8.141542 0.70860684 -0.45910746 -1.2530304 -6.1641755 -0.62550086 -12.088032 3.4222536 15.6327505 6.169073 0.6185718 0.34660313 -3.5079036 5.488856 -1.8923968 0.4853018 -0.28199273 -6.5614753 6.75062 -1.7602226 2.9525232 -3.2777717 8.456791 2.6501532 2.3560555 -6.2870293 -1.4875426 1.3328304 6.3075128 0.26692718 -1.230143 5.821661 3.924524 15.588656 -7.094892 1.1387612 4.7314043 7.2387643 -3.1888857 -1.1128422 -0.3961221 3.6185045 -1.3544791 7.3044405 7.419612 7.609296 5.808132 -6.859711 -2.288204 -8.523162 3.9402285 1.9755986 1.4437155 4.791205 10.786708 -6.834935 3.2152958 -10.18592 -1.6678821 2.9891212 -0.44674283 -4.662484 3.395391 6.855338 10.025617 13.686089 3.8341317 -9.546728 0.12286116 5.698745 -17.450542 10.169469 13.259701 -1.1822071 9.35276 12.538441 -6.832856 -5.8667693 6.413066 10.575562 -3.2565362 5.6763105 2.547508 15.431872 1.8440734 -6.824577 0.9681916 0.12128236 5.3554935 13.525787 -17.517855 -4.758272 14.279401 -11.225627 2.0224242 4.6930184 0.59207505 -9.744233 2.755208 -5.474187 5.459335 7.3683214 13.499697 17.141731 -2.4832919 -11.057681 2.7026908 -8.201593 -7.1235747 9.579126 0.1354314 8.488042 8.630112 -6.463234 7.408464 6.178949 10.490684 0.74339664 -1.1666116 -3.33891 -0.9623922 16.637531 5.027916 -9.642432 -11.591536 -0.45632598 1.8447058 -5.5659657 0.45030996 8.577324 5.2129865 -0.08016142 -0.25482947 5.6510835 7.3837132 2.0891094 14.433597 -1.7951913 -1.549638 0.21402898 3.4748054 2.3728955 5.747364 2.8881853 1.6578636 -7.915951 -0.9718594 5.3430023 3.949125 4.1342573 -5.9850273 -0.46806717 -0.797213 0.9885194 2.3604167 -3.8378816 -0.8402364 4.283992 -9.603163 -0.5839739 -1.0247864 -5.537113 -0.021867044 11.496741 -4.286236 -4.897008 5.9553614 -4.50219 6.089744 -19.155926 0.26952282 -6.5995655 0.6295934 -5.728735 6.2863536 1.2998157 3.768932 -4.701379 -4.3339577 0.5999987 -1.0537587 12.844527 -1.1432216 -6.17258 -1.6823521 -0.28582048 -2.1047983 3.8075547 -4.0121975 6.337918 4.038935 0.065989524 -3.06118 -2.5227947 9.170372 6.3545184 -0.43650836 0.36341855 2.0338552 1.5661423 -3.0863233 6.1708827 -10.612312 -7.13691 -2.9189706 2.026021 -5.6135893 -0.80891716 -4.802948 7.738921 -1.005273 2.8542066 -6.903607 7.4847794 -5.0717263 -4.3351636 -2.4680452 1.3438834 -1.6793265 4.0295267 15.170668 -4.3429403 -7.937939 7.989975 -3.2841651 -3.0052505 -1.9094191 -5.4251466 -2.3274791 10.453775 2.3167388 2.3217766 -2.3084023 7.1760297 5.6727242 6.682888 0.5912014 7.524569 -2.0502417 5.1643586 -6.8820586 2.4971607 1.7198727 4.3571825 6.2921243 1-oleyl-sn-glycero-3-phosphate is a 1-alkyl-sn-glycerol 3-phosphate in which the alkyl group is specified as oleyl. It derives from a (9Z)-octadecen-1-ol. It is a conjugate acid of a 1-oleyl-sn-glycero-3-phosphate(2-).
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44602472 -0.26286265 4.8582006 -1.0963963 -5.733118 0.9622832 -8.248488 -2.1951344 3.2750018 -5.470968 3.9890497 4.568055 -5.5888543 1.3974155 -1.2904385 1.0475068 -5.161248 3.225569 0.024906438 -8.047056 4.681517 -6.5856237 -7.696141 -1.0072317 -7.3579035 -1.5229646 3.2222946 2.6183248 3.3780508 -4.354468 -8.570121 -1.9297167 -2.6035664 1.7318878 8.048851 2.5538716 6.5232205 -0.8085972 5.34641 -2.1668365 7.6803064 -5.412616 1.1418651 3.872212 -2.6643186 -8.133662 -0.65237194 3.51984 0.5222277 -2.7330198 4.3408012 5.88547 2.350319 4.1375957 4.5984874 1.1556447 1.6133724 1.8630997 -0.8131814 -2.3986156 -2.1319122 2.0446718 -3.4881325 3.8011715 6.281859 -4.6223464 2.317878 1.8171127 2.989075 -1.5665519 0.54997325 -2.3613982 6.191497 -8.868276 -1.8206348 -1.9259132 -4.6992054 -4.4937606 1.753658 2.702788 7.822957 -2.4108727 -5.5430427 -1.8936083 6.900224 2.7004185 -1.9917157 1.3047552 1.5847919 7.4314914 -0.78373617 -1.4172812 -1.4846228 -2.0663283 6.4393573 -0.22528332 3.4262922 0.7918986 1.1473275 -5.8892517 0.1986826 2.1528728 -3.918496 -4.3524923 -2.54818 3.5033715 0.012855604 -2.4513416 -4.692645 -1.0877956 7.4301524 -5.076718 -3.2621465 -7.2880697 -2.633773 4.3506675 -4.294585 5.605381 3.5144908 0.00089225173 7.5454884 3.8233066 -1.4806082 -5.511914 -1.6336755 9.000541 -10.826345 9.491465 5.983619 2.003348 5.752299 8.659635 -0.26971832 -8.161075 7.7543316 8.816743 0.10517591 -2.1245387 -2.5112243 10.177084 3.8947105 -3.9525135 -0.57180715 1.0221913 5.780713 12.520583 -11.081099 -4.412304 6.665293 -7.3553977 1.972674 5.438913 -3.9781153 -7.0801296 2.8917735 -1.9984105 -1.5213867 8.291266 3.4963992 8.135715 -9.158505 -7.5555787 -0.856935 -7.0739098 -3.7979336 2.4249527 -3.7647002 14.989036 6.639844 -6.6890435 -2.9452763 -1.242361 5.011254 5.521671 2.1229103 -0.014093846 -5.51233 10.038143 8.194065 -10.550679 -7.834707 6.885315 -0.6919449 -6.4824824 1.263058 6.722632 1.5823312 -6.3494225 2.8895884 1.1077883 2.135787 11.651005 4.228301 1.5249829 -4.271273 -2.4068444 -1.2773379 6.12754 3.4528267 0.5583845 -1.766908 -3.0729473 -6.930393 3.8508968 7.4576435 -2.6483502 -1.5711505 4.862684 1.7992258 4.57272 4.9306164 1.9812083 3.4617538 2.6220906 -1.7309147 7.011941 3.8892777 -8.166955 -0.61428 1.8920633 -1.4506481 2.8896303 -1.9453379 -6.3894963 -0.34870607 -10.793498 -0.6159923 0.6831486 2.6957219 -4.278529 2.059253 0.9676882 6.137719 -4.327095 -3.9097247 0.3283955 2.0166056 1.795953 -0.7357437 -1.1088063 -1.567356 2.7294204 -1.065572 -1.6660404 0.9518391 -0.5208635 -4.414427 2.809404 -0.764225 -5.6070457 2.5126233 7.242854 5.410007 -2.6655784 0.057962075 -3.7428782 2.2428107 8.190072 -3.9454312 1.1551462 -5.6303334 -1.6071202 -5.874892 -7.1443915 0.33710456 -2.1939123 -3.19473 2.2768881 3.4331641 7.6098633 -0.75810033 -0.20753531 -0.67631894 3.1416194 8.719727 7.9487314 -3.1614974 -0.6765413 3.2859027 -2.7306976 -2.0109165 -7.0298953 -3.1222906 -2.06979 4.923845 6.707347 -1.7953327 1.8804841 3.2748418 7.1724358 -0.3908169 12.407309 -3.8932347 8.210712 -1.3573638 -2.0319638 -10.824034 1.9744183 1.227725 5.7648454 5.0260024 Benzylpenicilloyl-butylamine is an amide formed between benzylpenicillin and butylamine. It is a monocarboxylic acid amide and a thiazolidinemonocarboxylic acid. It derives from a benzylpenicillin.
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42626465 -0.010383488 0.023892108 -0.19599879 0.17679338 -0.46329615 0.34618068 0.38614693 -0.031320482 -0.05018698 0.0043119565 0.13940746 0.02853427 0.26052168 -0.18383896 0.22204874 -0.18364114 -0.07649493 -0.21608168 -0.08951116 0.20861316 -0.24205782 0.031559754 -0.08581635 -0.035072174 -0.294543 0.07089684 -0.1736148 0.05506068 0.1435707 -0.35695523 -0.24407294 -0.014459712 0.15496925 0.16465439 0.18467748 -0.16570984 0.101502925 -0.15983838 0.39033785 -0.06709543 -0.14452964 -0.07122777 0.16724266 -0.10434876 -0.10730687 0.034233823 0.2806625 -0.20492473 -0.19058739 -0.11517883 0.20269996 -0.053624813 -0.002852688 0.06396122 0.1942816 0.20404221 -0.10207821 -0.19924998 -0.0029081656 0.03745115 -0.021347595 0.07619142 -0.049860664 0.18793577 -0.19839787 0.2504886 0.06660962 -0.017999778 0.05589383 -0.078674175 -0.1022768 0.25298446 -0.08680445 -0.10651891 -0.11080434 0.14839816 -0.13375379 0.19737786 -0.07518319 0.12632474 -0.08689876 0.024064403 0.109062634 0.24416776 0.017250406 -0.08726566 -0.033514123 -0.28017092 0.2083384 -0.098955415 0.010041188 -0.26678833 0.08410987 -0.09198033 0.023303092 0.06999649 0.22975819 -0.2384333 -0.09835122 0.014700917 0.16368452 -0.0879697 0.009523756 -0.040723793 0.11978924 -0.108950555 0.16771905 0.032118518 -0.16964276 0.14376318 0.050945226 0.1850009 -0.029072111 0.023632186 -0.23861553 0.22046703 -0.038458727 -0.115179926 0.1166681 0.075460255 -0.31377748 -0.012490401 -0.07375408 0.09313109 -0.17609586 -0.09268662 -0.060357638 0.15628287 0.06264606 -0.019112028 0.21285255 -0.27142164 -0.20838073 0.0046358234 0.03418661 -0.07375076 0.104074046 -0.15767993 0.12789772 -0.068216294 0.08744387 0.33872762 0.0460742 0.11368696 0.20597161 -0.026298221 -0.28181848 0.18806566 0.121453166 0.013765632 0.11917268 -0.09246492 -0.029795278 0.08540662 -0.17774023 0.13274644 0.07472394 0.1396422 -0.25352553 -0.1641887 0.11703523 -0.022409294 -0.058621116 0.32533452 -0.077702776 -0.39957952 0.2829777 0.17907563 -0.13396223 0.20120527 -0.1411817 -0.13699117 -0.0611966 0.16334473 0.15246974 -0.023657335 -0.015451943 -0.08325312 0.08230364 -0.011406358 0.0026126802 0.008059535 -0.004506914 -0.022243595 -0.13791786 0.17655815 -0.289731 0.21701795 -0.040602062 0.047265664 0.12530746 0.27385542 0.06175227 -0.055230655 0.26909396 0.028073229 0.22114812 0.00047384627 0.21022527 0.03660462 0.17638205 -0.060662184 0.25987566 0.078349695 0.04538352 -0.10512392 -0.102011904 -0.18770908 -0.2003107 0.12939006 0.06339235 0.1561849 0.19180827 -0.010812206 0.4030405 0.050935224 -0.17504321 0.35504687 0.13309467 0.4725339 0.3900653 -0.32741407 0.14125264 -0.07370393 -0.29467157 0.06847884 -0.08955734 -0.17638962 0.045983136 0.12678365 0.21768522 0.30508688 0.12196137 0.08740944 0.05245369 -0.077254854 -0.18313201 0.28831583 0.12418847 0.09676497 0.07955698 -0.43620408 -0.19285847 0.15849444 -0.28902274 -0.08379878 0.18556874 -0.10890375 -0.3766492 -0.21201687 -0.005162407 -0.086684234 0.5172134 0.20590368 0.11208529 0.20288266 -0.05804132 -0.016802259 -0.104695156 -0.1545668 -0.12326872 0.18654914 -0.22320609 0.041273516 -0.016193513 -0.1648933 -0.007904246 -0.22017768 0.25092098 -0.0450585 -0.30830154 0.098056234 -0.0023375608 0.042087108 0.09508087 -0.33225283 0.0803604 0.20115466 0.07411507 -0.26306844 0.10354765 -0.101545386 -0.16318864 0.16280481 0.30610487 -0.18216139 -0.29829308 0.19868807 -0.0790915 0.11634767 0.02248086 -0.10343443 -0.017745156 -0.106993325 0.28191206 0.15790151 0.1118302 0.019260067 -0.090750284 -0.156103 Lanthanum-139 atom is the stable isotope of lanthanum with relative atomic mass 138.906348, 99.9 atom percent natural abundance and nuclear spin 7/2.
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49792037 4.574287 27.689432 8.918108 -15.717294 5.5957665 -44.46556 -1.1587216 13.671059 5.8684916 11.007194 12.501054 -29.579788 -12.752592 8.409543 2.0806496 -8.00337 2.4895487 0.14883186 -56.54069 17.491386 -26.058016 -31.576906 -14.731177 -34.768322 -22.764572 23.548538 5.8013153 25.274418 -9.95199 -20.597927 4.581931 -10.521463 2.0380504 26.89367 40.98728 13.285103 -14.99625 42.235867 -6.100846 15.91652 -24.486616 -14.83892 -8.609798 -6.7626715 -29.586264 1.964828 -5.225166 16.108288 -4.576103 41.453297 29.547733 5.267373 24.606916 12.972019 35.689148 -15.400949 0.6729623 11.7801285 -7.3688445 -11.466393 3.5285397 -36.658268 10.828139 38.204468 2.888146 1.4611607 4.546019 3.38831 2.285087 -13.322218 0.9995668 5.2748637 -25.884436 21.093609 -3.7520509 -3.8090305 -25.917046 27.317797 2.1740098 7.997834 -26.680546 -17.925013 -4.454182 18.183594 8.870198 -6.3737373 25.919632 12.215155 37.76197 -15.859798 3.3338585 6.394829 11.35496 0.51109046 1.0729443 -2.8614452 18.51354 2.6837487 12.367668 12.517745 27.593246 13.525839 -31.192308 -5.5491867 -2.9594543 10.085754 1.5598922 11.829261 10.86893 25.52519 -23.247997 15.026335 -11.95354 -4.458149 25.345911 -16.030865 -10.19342 15.347272 29.574806 30.175447 37.635933 13.166403 -40.381184 -4.9832444 14.311589 -53.364967 37.81742 37.94959 -16.760464 25.446861 25.641703 -4.835941 -25.425087 28.80016 48.46402 -3.0402598 19.156132 -0.8384825 49.779343 14.491448 -23.244856 1.6907295 6.300637 15.824789 55.430565 -40.778175 -20.103685 44.594864 -34.38547 6.8905993 24.094898 5.561972 -32.25881 11.353006 -11.236982 17.805765 41.213978 36.79544 55.47452 -9.548928 -42.32607 7.4644675 -27.35661 -15.914861 22.911165 -1.5801277 55.486584 24.905087 -23.323248 13.617659 20.08486 38.529606 9.329838 -3.749932 -9.684257 0.47547203 48.112206 28.972446 -29.004951 -29.939724 -13.581194 4.0724716 -25.122713 4.1333075 19.199642 3.5686288 6.1019864 -11.874581 17.08546 16.630571 15.148901 36.67107 -0.98073554 2.5550394 0.53302544 15.996915 4.5402045 15.749217 7.406712 2.5139036 -13.876466 -3.4780536 18.169859 23.608654 15.809183 -14.051565 -2.4914594 2.9872894 5.595275 15.808398 0.6814892 -4.813687 -0.85119784 -17.732712 -8.821862 11.474112 -20.346727 2.3247914 29.496534 -18.2814 -12.748868 3.9473705 -8.498689 22.244507 -42.08432 -13.177745 -24.931795 3.7524006 -7.85954 21.466713 2.0666127 9.76676 -11.055105 -3.0417867 -1.1857551 -2.0128212 39.962654 -0.33828765 -24.73601 -5.209432 -7.2643948 -9.804125 5.644673 -7.9214873 26.160175 10.166874 1.7991271 -17.286966 -9.720788 11.575848 17.806879 2.7076435 -9.338145 17.886621 11.9152975 8.204478 9.477694 -37.65191 -22.495138 2.0961056 -5.639557 -17.91716 1.7116933 -9.768902 17.064451 -3.8421059 13.743536 -8.931671 28.685947 -11.311906 -7.817138 -5.281607 0.77899945 -1.1981745 27.543352 45.016434 -12.7948675 -25.120659 23.89429 0.0059416145 -3.3700583 -11.018176 -7.245668 -4.697811 34.456707 -5.417486 -4.4707184 -8.579063 27.233572 14.516419 20.695267 -6.19363 37.935963 -7.7225113 9.618534 -36.135876 3.920963 -4.404627 22.776608 16.899448 Ins-1-P-6-Man-beta1-2-Ins-1-P-Cer(t20:0/2,3-OH-26:0) is an inositol phosphomannosylinositol phosphoceramide compound having a hexacosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 and C-3 of the very-long-chain fatty acid. It derives from a Man-beta1-2-Ins-1-P-Cer(t20:0/2,3-OH-26:0).
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44558888 4.5335903 15.130224 3.6215124 -14.066201 -0.009961486 -10.882725 -12.976789 6.6430135 -17.728329 11.486179 20.454098 -11.881197 7.685448 -0.7441809 2.2263136 -8.434769 5.6574683 12.764053 -21.332815 2.413871 -5.778236 -2.2819388 2.3903568 -20.436485 -7.283477 10.128138 2.1989317 20.82378 -10.103962 -12.8759365 0.6281619 -11.177998 -5.5827823 9.046702 19.042355 13.983715 -2.818949 21.044317 -1.237431 11.243849 -1.6927977 -15.278784 -2.3279932 -6.657056 -18.225098 1.3932884 0.7499263 4.319781 -5.6701384 11.62918 18.4495 9.942852 13.440107 10.5203 5.3575315 -13.153944 -0.6457249 -1.6797045 -2.4505267 -6.583847 -0.5787758 -17.166523 -0.7694053 22.300741 7.780042 3.864609 1.9803882 -1.9974353 9.154079 -10.575864 3.8990264 -0.8138114 -10.075156 8.066021 -4.103007 4.554624 -5.771756 15.537461 7.678446 6.9430637 -8.887377 -0.52699214 3.1453817 16.97994 3.3881207 -1.3988845 2.3194842 1.2876073 23.989882 -15.206664 4.6784887 5.086626 13.854053 -2.5984094 -1.554811 -1.7235953 1.3115001 0.3277482 4.1572967 9.998418 7.3055677 3.5567994 -11.055318 -2.6908028 -15.472486 9.757484 1.3335721 -2.0464673 8.095829 15.960091 -9.373673 2.399825 -20.875673 -7.0083756 1.2991898 2.0684147 -8.817792 12.214649 10.915789 17.90928 23.312775 1.4579258 -1.4413917 -0.19497885 17.540503 -35.136257 17.441198 25.796011 -3.3060482 17.631117 22.31335 -13.981378 -10.337462 7.855408 16.142496 -5.5759563 4.022168 0.34657258 21.78237 6.978418 -9.426339 -0.14781642 2.9637442 9.406125 20.922401 -30.88968 -7.7959085 19.081497 -18.006578 0.104583606 5.4908905 -4.343099 -20.532017 6.010574 -7.2845073 4.12102 5.577499 16.810013 27.78776 -8.602306 -20.748772 6.790804 -8.2738 -12.770711 18.424856 1.3075281 10.589086 20.217545 -9.44103 10.46746 3.8720806 12.001706 0.10675765 5.000814 -0.1683271 -0.3438298 24.704166 6.5327125 -20.995026 -15.932792 5.544389 4.16555 -9.7151575 2.096779 14.396167 7.4635706 -8.395181 0.95619184 7.4168754 14.17823 5.148834 20.728262 -0.9227209 -4.114244 0.7392819 4.954933 9.896409 10.800663 10.437767 4.7793427 -5.9290733 -2.8330314 5.7960677 3.9630046 5.6227694 -11.166287 2.4745119 -5.552942 5.5845585 -0.15448016 -9.332338 5.955398 13.083929 -16.800009 6.0360622 -4.166869 -5.170763 -7.950699 14.611354 -7.7749615 -4.9569836 12.769206 -14.483395 6.929845 -35.070675 9.392369 -9.325656 -2.0496056 -10.337261 10.146164 6.6814985 7.3491063 -4.7715163 -12.315629 3.848414 2.0815074 20.148035 -3.5841966 -11.133633 -6.9123654 -3.58243 -4.304257 4.0280843 -5.5979037 0.9580902 6.7059083 0.8157464 -1.9789206 -9.065391 22.54283 14.896196 3.151777 -0.16386572 1.4989129 4.265279 -8.20398 17.439184 -10.127639 -14.038235 -11.37372 6.1562753 -10.621305 -6.673935 -6.5623403 5.642712 1.3044949 5.4735484 -7.337655 15.494859 -3.8164964 -9.237105 -6.24598 2.2100062 7.3163996 2.9105585 21.65128 -3.0676508 -0.23103127 15.7470875 -8.141651 -14.218795 3.3413389 -7.8661537 3.2612958 16.462097 13.24118 5.092329 -9.015206 13.905441 11.442378 12.442593 5.012088 12.572614 -2.634865 9.854389 -8.195188 8.322386 1.3331857 2.5535357 7.5915675 1-linolenyl-2-linoleyl-PAP is a carboxylic ester that is a modified acyl glycerol with linolenyl and linoleyl entities at C-1 and C-2, respectively; and an anilino moiety at C-3. It derives from a PAP, an alpha-linolenic acid and a linoleic acid.
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91861119 -2.0635898 9.764977 5.7807636 0.36359107 1.2713976 -25.142185 2.340042 -0.9788817 15.641001 4.5448327 -1.8791751 -7.103972 -12.080434 10.155642 6.14777 -2.725043 6.449723 -9.716505 -30.277178 13.721106 -6.545333 -17.863695 -13.081824 -6.2202883 -12.116835 3.6525247 2.2050831 6.614305 2.3704212 -6.7605796 2.215778 -1.1922064 4.4125423 10.64826 21.612852 -0.39330238 -5.8618097 11.708778 2.8381042 -0.13676749 -14.919445 3.769613 -2.411862 1.9644978 -3.5888467 1.0260633 -0.81063986 7.9482026 -1.18456 25.397507 8.108897 -3.349309 11.587836 0.17547323 18.08666 0.9401362 -4.9625025 10.897422 -4.13095 -2.1105661 4.8483095 -9.430393 0.4831769 6.732959 -6.5756145 -1.121744 4.0510726 5.6202226 -2.3042545 -10.501347 1.3643975 5.9648156 -9.708821 6.0016317 1.5792539 -7.4808197 -18.778946 14.5426035 -2.4806962 2.2716703 -9.036621 -9.181407 -5.766332 2.772937 5.329706 -1.4109304 12.039173 3.2024045 8.492265 -4.8777957 -0.8040017 -1.7426516 -0.47096896 2.4569402 -0.786782 -6.3797154 10.57263 4.4618554 -0.024191007 -4.386026 10.695211 -0.5142589 -16.574554 -0.29122794 12.221345 5.652648 0.42368233 3.5835016 2.7334886 3.9864652 -8.208828 7.665515 6.616148 -3.5655181 17.857899 -11.711646 -5.808735 5.242925 13.029785 9.221865 12.117586 3.396108 -15.2781105 -4.696921 5.992447 -23.533451 17.787855 9.365388 -15.563067 9.612424 -0.7951472 4.718785 -12.701147 17.519434 26.729155 5.9754243 7.781163 -3.7089682 16.898214 16.110615 -10.062888 0.96265185 5.6210523 4.1253657 26.930302 -7.1906304 -10.440323 18.550915 -15.252853 3.3031316 12.598665 4.5629306 -11.568801 4.004005 -0.923975 8.619799 22.014551 11.481809 22.842836 -5.5613875 -20.946596 2.0220385 -9.382184 -0.96448976 7.034372 -2.9003053 34.966328 8.239307 -10.924734 -0.2949109 9.707763 13.290309 9.821803 -3.900061 -3.407963 2.4606557 14.348917 13.402825 -2.9803586 -0.24613522 -13.616086 2.661696 -12.485176 -0.47631443 1.7753136 -5.0790567 5.5634923 -11.128672 3.085444 -2.3031793 8.164759 6.5987334 2.4498444 8.263756 0.97093815 10.112075 1.5765297 1.5789735 2.1994355 2.1389039 1.7463208 -1.2668688 6.7114873 15.190017 6.910498 -1.4055619 -4.076689 0.34784514 -0.34836143 10.170877 3.3217762 -2.3562274 -10.27143 -4.705947 -6.9560122 9.837888 -2.529979 1.103887 6.3642783 -9.171962 -3.1189177 -3.2493122 0.24292322 11.618442 -4.164049 -12.765195 -11.9555435 2.1107733 6.83987 3.8187387 1.3634403 2.7606924 4.4620786 3.4438949 -3.9811432 0.8201009 14.689736 -0.3664475 -16.004538 -7.3605576 -5.6728415 -3.7692313 -2.1091952 -1.1593832 11.165529 3.496818 1.292162 -8.9001465 -2.478648 -2.651866 3.6854286 4.19957 -8.40679 7.1734686 9.670541 11.46615 -0.5014715 -18.401396 -9.218423 4.7924 -9.835399 -7.0151844 3.692604 -0.102335125 2.2739282 -5.360998 9.6117735 4.8704286 10.340719 -1.1075387 0.8502352 1.7847211 0.47953257 0.2612836 18.720427 18.864527 -0.71344286 -8.496692 8.579223 7.4902472 2.326954 -4.950394 1.59944 -0.8483984 11.908119 -10.640168 -7.5221286 -6.212194 14.596338 5.0028596 3.7617486 -6.51844 21.487717 -1.0365297 5.612374 -16.556736 -2.1216745 -4.942772 9.6094475 4.8768287 Alpha-D-Glcp-(1->6)-alpha-D-Glcp-(1->2)-alpha-D-Glcp is a glucotriose consisting of three alpha-D-glucopyranose residues joined in sequence by (1->6) and (1->2) glycosidic bonds. It derives from an alpha-D-Glcp-(1->2)-alpha-D-Glcp.
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12304080 3.2915542 4.777391 1.8289044 -10.1822605 2.9423563 -7.1590843 -3.304038 8.890708 -9.038518 4.5151057 7.4757547 -15.247705 1.2967952 -4.7559347 -3.4260306 -5.449444 -4.093076 6.9372826 -12.960951 -1.0311272 -9.528863 -6.144379 0.45191473 -20.061426 -3.110039 12.197045 0.72953475 10.896125 -8.820388 -8.261575 1.6847903 -7.2029343 -1.2190276 9.287314 8.952659 9.121053 -8.811966 20.330654 -4.2951703 12.025079 -4.5712614 -13.647751 -0.82308745 -2.7685518 -14.4932 -0.04416249 -4.241519 5.1515374 -0.98384976 10.37458 9.822174 5.834621 7.166252 8.578056 7.0638514 -10.177293 3.649315 -1.5816953 1.5149932 -4.510459 -3.6130898 -17.151773 2.8442256 19.30426 9.224156 1.3798324 -0.9780864 -2.0631843 3.2852058 -2.558408 -0.30057588 -3.0514219 -6.45482 8.654156 -3.2769732 0.42012262 -0.4368547 8.142964 1.3351266 1.8129911 -10.835977 -2.7829206 1.2458662 11.124777 3.6212537 -2.501054 5.535582 4.792773 17.992819 -7.332047 4.3221946 8.848406 7.5390453 -1.7628536 1.9287126 0.19746268 0.9157087 -0.48520648 6.732452 11.541374 8.025425 7.8889537 -7.568162 -1.5658985 -12.141744 7.5594234 1.1205822 4.7440944 4.0958667 13.404106 -6.5831413 7.5822134 -11.526447 -2.5262723 2.213688 -2.464561 -1.632514 6.6000104 9.849203 14.279887 15.930818 7.218655 -11.655075 -1.1376224 4.2158976 -18.79629 9.925826 15.994979 1.316974 7.0055995 17.2812 -9.214735 -6.3343077 6.1199636 9.925014 -4.057234 6.578576 4.9083138 20.322706 -3.1657662 -10.757993 1.984148 0.94058406 7.5918818 16.194256 -21.410631 -7.7853255 14.574057 -10.036305 2.8756711 3.7580724 -0.9935646 -10.117103 5.1065745 -7.1302953 5.1922355 9.40743 14.782054 19.999966 0.37554276 -13.324631 3.148612 -8.299422 -11.429376 10.111062 1.783666 9.257776 13.058919 -6.170693 10.606244 4.962423 14.021786 -2.3009849 1.4461987 -4.4762144 -1.1872772 20.581976 8.882651 -19.50769 -21.307503 2.1790702 1.4121034 -7.7855983 2.917682 11.564582 7.1524997 -2.9642751 0.56136024 9.288424 14.109444 3.6892152 18.434706 -4.8325357 -1.6794946 -0.8026651 2.396658 0.8018358 10.391561 7.4516225 1.5875111 -10.140351 -0.61718106 4.8106465 4.9350424 2.5746136 -12.182202 1.4174569 0.37116504 0.6486772 1.2682164 -5.115459 -1.8434771 7.8510528 -12.514949 0.901948 -1.0232499 -11.790932 -2.5699646 12.880539 -6.4412017 -5.849758 8.011837 -7.435778 6.8856444 -27.13301 2.9442022 -8.49286 0.8644156 -10.796705 12.209968 -0.30544555 3.174087 -8.927148 -5.9927316 1.7832569 0.053040706 15.675587 0.95903754 -6.2860913 1.9691678 -2.398386 -5.027344 5.2861767 -2.913875 5.5341682 4.7373457 3.7852018 -4.87965 -7.0470157 9.7911005 9.225595 -1.3009647 -2.400406 5.119104 1.2235305 -4.4079986 8.363775 -10.622543 -10.328608 -5.127789 2.448047 -8.059714 -1.2357032 -6.5919504 7.887162 0.563128 1.9362648 -10.861741 11.878633 -4.83075 -6.7280946 -6.963442 0.6934849 3.6988142 2.1055782 14.864088 -6.7376475 -6.6971884 10.275374 -6.8808675 -8.428023 -2.3600428 -3.7220266 -3.2121086 13.615981 5.521592 2.1043112 -0.62365735 9.456103 8.4357815 12.660738 3.191973 9.264725 -1.9474481 3.4774482 -12.531698 7.6893024 -1.1821431 6.69689 8.325915 Corynomycolic acid is a thirty-two membered mycolic acid consisting of 3-hydroxystearic acid having a tetradecyl group at the 2-position. It is a mycolic acid and a 3-hydroxy fatty acid.
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26741774 1.0787404 10.127328 -3.106989 -2.4704034 -0.18482503 -8.94447 -12.329139 3.1927388 -3.3394928 2.829804 6.8624945 -8.132285 -1.6661041 12.80036 2.2506616 -0.74655896 4.342731 0.30516082 -11.965625 8.442389 -10.657954 -5.767648 -6.1374702 -7.4915915 -3.2991486 4.72096 1.0580714 11.2211895 -0.45284665 -1.8935443 4.365206 -4.153711 3.6596675 5.9616184 2.991513 2.2405572 6.6744304 3.7186382 -5.400654 -3.238203 -7.9296303 0.8882811 4.8594356 -5.43262 -0.47867647 -7.62324 7.1155 -5.360854 -0.58630234 6.3307633 6.4690886 0.50723636 5.0968065 2.1931944 -2.1232042 3.4490287 -0.4720583 -0.55466974 -2.4357135 -1.200742 -0.027267892 -3.156065 -1.5033245 4.546626 2.2304184 -1.1048813 3.743661 -0.09445194 0.5289564 2.6283283 0.14412081 3.6324558 1.7656177 -0.48530877 -0.1984599 -3.7703779 -1.9972432 11.264889 10.968957 6.8402867 1.0761309 -3.5598078 1.785305 0.2806056 4.287562 -9.398273 3.0625694 -2.818536 17.998524 -4.1460347 -1.7541827 -10.079309 -2.5409398 -2.21992 1.1785088 4.7902436 -1.0277536 0.0012981296 -7.1569867 2.4379945 2.868146 -8.986882 -8.600264 -3.7670345 4.7532573 5.201379 -3.7794604 0.3690879 -0.23625097 3.22508 -5.1059318 -2.935276 1.1866033 -0.86083555 10.3553095 -7.1474433 -2.3626847 0.9521116 4.139512 7.573041 4.704956 0.6208411 -8.926516 -0.8517273 7.9341407 -10.069823 8.984331 9.115568 -4.493975 4.9171457 8.0627 1.1059611 -12.09361 1.823036 13.745373 4.73073 0.9316602 -1.1858557 4.7046733 4.688843 -4.5508914 0.28827736 3.4099088 8.119977 7.0709314 -12.080233 -3.225487 3.5657647 -7.791742 3.1308181 3.9103963 -5.5345464 -12.30326 4.0816555 -2.1359935 -0.80597013 10.92797 3.4348946 0.60826576 -6.892181 -3.1585402 -1.4374049 -3.9414713 -6.459523 3.3926966 -2.8587644 11.77925 0.1616481 -0.660349 -2.9942267 -3.9333782 0.118660145 8.658005 -4.205152 1.3156884 -2.5667853 4.1797967 4.331715 -6.339616 1.2069885 5.815176 1.3948083 -8.308668 -2.1485496 8.3422575 -0.13533509 -3.3041852 0.6585942 3.9433317 5.5200796 6.7943473 1.2728139 -0.3021418 -1.2921348 -4.35226 -0.72674614 5.2530036 -1.0414317 0.29711974 2.84631 6.2022905 -5.556729 4.868414 4.9242005 2.30255 1.3395269 -3.787084 -3.6136608 3.8009994 3.5540502 0.63077265 4.573443 1.4949408 -2.145921 5.5306277 3.886222 -1.9302638 0.22507703 -4.1209497 -2.918294 7.9679456 -10.059004 -8.276447 -0.68307304 -7.8182344 -4.575274 2.4204495 -0.48172587 0.59663546 1.3664124 2.8031077 7.593644 7.1771865 -2.8014545 2.426135 -1.197936 0.80587435 6.5677595 -0.80468893 -3.9077106 -1.3787985 -9.353574 -7.3675766 3.665659 3.680811 -2.3129525 3.4128869 2.7301264 -7.3254666 -0.28850725 5.9140615 11.290338 7.572267 4.5742073 -5.759987 -0.65139055 7.5121746 -8.12209 0.14992723 -5.165908 -3.3007646 -0.987216 -3.169073 2.2675583 -11.092048 -3.4370701 0.6639382 -2.459464 4.289492 2.9999268 4.3210273 -2.727964 -3.4040265 7.132867 14.822276 -2.8530664 2.496451 2.7491288 -1.4959373 -1.3898451 -11.963684 -4.8507323 -5.1483703 8.708447 8.645306 -6.435918 -6.303089 -0.91997224 9.568518 2.3835273 1.410397 -0.94331443 14.1033745 -6.3423424 1.4754517 -12.685174 1.5956839 -3.1516259 3.1936324 8.097256 (S,R,R,R)-nebivolol(1+) is an organic cation obtained by protonation of the secondary amino function of (S,R,R,R)-nebivolol. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a (S,R,R,R)-nebivolol. It is an enantiomer of a (R,S,S,S)-nebivolol(1+).
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5842956 -1.2118248 6.6950192 -2.8200948 -1.6443212 3.4276557 -7.702633 -12.673761 -0.13374785 -7.6855893 6.4797125 5.308495 -5.33916 3.2653384 0.35684553 1.6616583 -5.5203953 3.3750663 0.7735559 -12.820493 5.1621146 1.162405 3.1735334 -2.666696 -7.2251487 -0.56001115 0.5770612 -1.9644243 7.0043106 -2.7093766 -9.558901 -2.3785114 -0.53788674 1.1057459 6.096778 3.4734173 0.03532484 -0.085087724 2.8029368 4.20206 -1.3808424 -4.3065214 2.680244 2.090595 -0.63620377 -8.48305 -4.0485554 5.8921537 -3.5068946 -4.5343766 -0.25553417 9.575186 0.2840404 2.6495135 3.4083343 -4.231473 -1.7060657 -0.7770931 -5.7995453 -5.601766 -2.9542897 -1.5305156 -2.424058 1.2081683 6.0306387 -3.452238 5.8984714 -1.7223971 -0.2629145 -6.054904 6.6597824 1.3218517 6.928518 -7.3893056 0.12789199 -7.5324926 0.7996497 -4.3694606 0.60637355 3.338091 9.877094 1.0898659 -1.0570335 -2.4054646 7.7554684 -4.5151896 -3.5915565 2.4592547 -3.153057 5.302106 2.4581196 -3.450889 -8.345463 -2.1985173 4.4277353 1.2600101 -1.7281145 -0.7895735 -3.8323982 -7.0621767 1.7758694 1.8368884 0.7481045 -2.1015015 -0.8871907 0.8918451 1.8888938 3.8489943 -2.2821596 -1.1207535 4.332812 -0.652971 -4.3160787 -6.178594 -4.377157 5.5008955 -4.247456 6.074514 4.144375 0.5449162 6.386183 1.373756 -5.3917437 -1.6906052 -0.1538854 7.256879 -5.388506 7.5861797 4.1196856 1.9006119 1.0827498 6.1963563 -1.8647956 -5.6328044 4.9409904 4.0644073 1.4149328 -6.0144033 -5.200931 0.3388969 3.531553 -0.14395261 0.108435065 5.862373 3.172398 11.659147 -5.5374346 -4.8485847 4.612882 -9.670769 2.4164093 8.606751 -6.419119 -6.841914 3.1174827 -0.09203398 0.7545519 -0.41193599 1.0912153 -0.20503482 -6.70978 -2.908234 -1.6386931 -1.4783093 -1.4557042 4.0108275 -4.8457704 14.641812 6.916337 -1.4650655 -5.6147633 -6.4073043 -2.1680644 8.3193245 -2.7258315 7.4353447 -6.767107 7.6999116 -2.1737783 -10.431341 -4.7731447 8.6134 -0.95286644 -2.5605378 -4.3124237 4.720315 2.8486035 -10.99888 0.02693326 0.36842003 0.16626589 13.003589 -2.0032816 -3.8783257 -5.269291 -7.8723917 -1.6332622 2.5670085 0.42848855 4.66283 -1.432914 1.7532645 -10.714059 1.1639745 2.0835257 0.41957986 -2.741259 1.7011496 -1.5607215 8.444164 1.6316999 -2.5367336 11.635815 2.4594254 1.4136039 8.098585 5.0162473 -5.1553206 7.482587 2.7686002 -1.1062076 5.6046677 -7.6393833 -4.972727 -4.8882136 -9.539104 5.582538 4.0657845 -5.9960527 0.17654662 1.6710901 1.5506328 11.1359625 -2.3022316 -0.6132492 -3.6754212 3.8247075 -2.7889235 -0.58368826 0.9048678 -2.1364446 4.7673216 -4.7333364 -1.6577553 -0.2136664 -4.844989 -4.119072 5.254896 -2.6833134 -5.6755757 4.9407945 1.9733765 6.457153 6.854043 0.075079925 -2.3800223 4.1791687 5.438898 -8.32065 2.4094226 -7.891276 -2.87059 -3.1383364 -8.436521 -2.82731 -1.6682817 -2.8180294 2.9087684 7.1728525 3.8815682 3.3698921 0.7320469 -2.5107436 6.251472 14.867241 11.280963 -5.9967785 4.2048125 9.795242 -1.6490681 -2.8465843 -7.451822 -10.927642 -8.484725 3.7439857 2.07382 0.42614022 5.4437704 -3.081414 2.3019657 -1.6512668 6.872283 4.8470182 4.8025694 -1.1260266 3.9680192 -6.1087756 2.5725436 5.175116 4.5369806 5.399436 1,4-diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene is a dinitrile that is succinonitrile in which the methylene hydrogens at positions 2 and 3 are substituted by amino(phenylsulfanyl)methylidene groups. It acts as an inhibitor of MEK (mitogen activated protein kinase kinase). It has a role as a protein kinase inhibitor. It is a dinitrile, an enamine and an aryl sulfide. It derives from a hydride of a buta-1,3-diene.
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16736655 -2.4430685 6.577371 -2.4037664 -2.6361318 -1.5214965 -12.88393 -4.0306087 0.7618905 4.48609 2.6799958 5.6499743 -8.418803 -2.3063788 13.321322 7.085991 -0.2510238 6.988361 -2.16004 -18.590181 7.046169 -2.6578033 -10.603271 -2.8568928 -6.232843 -2.4726398 0.1694949 0.9672624 10.6079645 -0.12679932 -5.084429 0.8623025 -1.7919384 4.48841 8.033946 7.552668 2.575495 -0.37232542 5.4038305 2.0834887 -2.3975585 -5.8380632 3.865658 0.34136745 -6.4406004 0.009839267 -3.7497938 6.78166 -1.7553338 1.4116027 13.42624 8.89332 -2.44701 5.4929976 3.1843069 4.818939 2.3570247 -6.956436 -0.30148 -3.4437435 -0.89690167 -1.3884904 -3.419007 -2.6265554 4.5582066 -5.2364182 -0.062743604 2.3388746 5.225723 -2.7237158 0.9970264 3.5562747 2.936884 -4.8925066 1.3943306 -1.0945634 -6.3128815 -13.252047 12.084673 7.616216 8.605628 -2.486302 -5.6613474 -1.1092608 1.9700978 0.9580116 -3.0581615 3.4316037 -4.0302343 10.06021 -4.442008 -2.1387317 -5.047454 -1.4637882 2.2564957 -0.27199537 -0.042770788 6.2391744 3.1319013 -4.676963 -2.771644 3.6227021 -8.154676 -12.35538 -1.2929325 8.4962845 2.1060014 -1.7940707 -4.043028 1.9366585 0.047243856 -5.199088 -1.1352559 -0.20297508 -3.227183 11.532967 -7.6306925 1.129486 1.9414824 6.0053334 8.352047 5.8041463 1.0875698 -7.708697 -4.52901 8.675498 -13.235822 11.2025385 6.595939 -7.8130994 5.6587086 2.6868577 3.2357492 -12.553618 4.395291 17.296825 7.358359 0.72481006 -3.8545887 8.964876 13.289632 -6.554385 -1.6225302 -1.7610569 4.0317197 15.615105 -8.975348 -5.2359467 4.7887845 -11.313662 2.565623 10.280523 -2.2748125 -17.899473 4.2565355 -1.2510362 3.1137357 12.03784 3.7546418 4.9840627 -9.888857 -9.829924 2.411838 -4.2576113 -3.28084 6.0700006 -3.762675 19.513971 7.969709 -7.2842975 -4.888228 1.4843934 4.9329934 8.159093 -0.59967005 -0.92446375 -1.9438192 7.321988 6.8431916 -4.1440854 3.4218166 0.3023357 -0.4439091 -12.025075 -3.3002107 2.2133603 -4.2699704 -5.3356986 0.7443344 0.16894032 0.40636787 6.0707626 2.7543652 2.0429597 1.8246813 -5.359624 0.84046847 5.0905466 -2.231338 0.23600003 0.71283644 2.1948314 -8.602978 3.9245903 8.038049 1.0225269 -0.24287593 -1.1616027 -1.8061739 6.0055804 5.3678184 0.954597 6.2109733 -2.5577765 -2.0242217 1.0580698 4.375987 -1.4549212 3.9030564 2.1843626 -4.94102 1.3613406 -8.272375 -5.133529 2.9764273 -6.8341336 -5.521853 1.8066018 -1.5381017 3.6171496 -3.3956823 6.775708 10.025497 3.549896 -1.363448 -3.766175 1.6242732 1.6216229 -0.093968995 -4.0708437 -5.6263084 -2.5987701 -6.259579 -6.6041327 0.21292764 3.2523935 -2.5684805 3.626424 -2.3581915 -3.1158824 -1.6780281 3.3904476 8.371351 -1.0369298 3.1113229 0.38605183 3.647472 2.6789618 -9.78427 -1.1474621 -2.1129532 -3.1447334 -6.6453524 -4.0187764 2.236636 -6.833369 -0.11985339 2.8350914 2.0973997 3.8348982 3.6918802 2.532324 -3.09287 0.8328516 11.079824 12.579194 1.2651819 3.637506 2.7813222 3.853488 0.41212192 -10.40254 -7.5301304 -3.6656716 5.8406754 8.625552 -8.234043 0.6327755 -3.222824 10.512666 2.899054 1.5251164 -0.85765254 13.174474 -1.7207648 2.5425408 -10.675795 3.7251306 -3.7399526 4.467039 6.4822197 Alvaradoin E is a C-glycosyl compound that is 1,8-dihydroxy-3-methylanthracen-9(10H)-one substituted by a (1-O-acetyl)-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10S stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma. It has a role as a metabolite and an antineoplastic agent. It is an acetate ester, a C-glycosyl compound, a member of anthracenes and a polyphenol.
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129626627 5.294986 18.979877 4.0397573 -3.609353 4.8511224 -26.831463 -5.786242 12.623522 12.610431 8.90412 10.368122 -14.226507 -7.448406 13.690806 7.869974 -7.3055964 4.6792965 -3.4476798 -29.619184 12.286328 -14.090752 -16.056133 -19.926992 -7.9078956 -12.825916 3.4876125 -3.3036761 10.322255 -0.9345436 -15.401067 0.3464777 -1.8354717 6.037551 8.367699 18.657223 2.0047877 1.3969808 13.738513 4.742099 -1.7275183 -15.351501 5.8595862 -3.8137207 -5.277656 -7.8907075 2.7854798 6.8853073 -0.108923376 -4.137929 7.815458 18.521532 -6.457096 11.257363 8.448666 17.040537 -4.5815916 -5.4942784 -4.113186 -10.604121 -5.3881907 5.813358 -8.429052 2.7393353 4.649875 -6.610333 2.9582617 3.1381557 1.8135058 1.6239691 -1.3321912 1.5437273 4.274731 -15.381271 2.1175594 -3.9461339 -1.3038161 -20.546661 9.837337 3.4664822 7.5636373 -3.1740334 -12.6997385 -2.483612 2.904108 -1.6286192 -0.24921 12.543302 6.9393935 9.208672 -5.726373 -4.692699 -3.6317475 2.4570138 0.1912951 -6.3249545 -1.2900487 14.074973 -1.64731 -1.4345393 -4.1538696 7.227823 0.6694454 -15.27016 -0.34928662 4.1432033 -2.2018032 6.0182185 -5.7415547 5.4176245 12.4652605 -8.831392 0.57917154 -3.0571833 -3.0744395 21.618053 -2.7073035 1.3520825 -0.3810134 16.112566 10.237493 18.840807 -5.937926 -24.02827 -1.7963845 12.057352 -20.837854 26.869444 12.250824 -3.4570363 13.65233 5.5478125 5.5754385 -17.78454 17.655783 27.779282 7.8425503 9.142166 -6.350378 19.875305 17.495094 -0.67247456 -2.1634393 5.2619643 8.660937 25.206205 -11.706841 -4.9344544 22.35137 -16.977034 3.4706538 16.781301 2.254386 -23.684961 -2.7058883 -1.7038391 6.2569895 20.471657 12.269027 18.756132 -8.278694 -11.7477 1.0373673 -16.062155 -5.3589764 8.292115 -14.769402 33.31773 8.071171 -13.792233 -0.8400302 9.176086 4.788467 15.325193 -6.4019475 1.3483238 -1.8429886 13.767499 5.9776535 7.330072 1.1320428 -3.58874 1.0696002 -8.634291 -8.730173 7.8349504 -6.0540485 -3.2053826 -3.8001847 0.47721815 -4.921546 18.577671 5.8434896 0.97565603 3.3857176 -9.508971 2.6223307 1.944332 -4.249401 -3.7676272 -2.766954 -5.172384 -10.089628 9.0217705 17.61848 6.8365884 4.8389125 3.416489 -4.474707 11.113841 14.129599 0.27028114 3.353623 -3.1242971 5.619304 -1.8987398 9.707774 -0.03210053 7.423063 10.160943 -5.262879 -0.59997874 -15.721615 -9.31924 5.487941 -9.339517 -13.127905 -3.6883328 -5.378725 6.630194 -6.1116314 0.59889525 12.009492 0.27834052 -0.28446132 -2.5801904 0.45238975 12.815601 -3.9800456 -5.8231115 -4.4606075 2.5069435 -8.917234 -8.247301 -2.1278987 10.020165 -1.8217692 4.8208985 -2.95449 -1.7611023 -3.7409594 8.279772 9.242088 4.474727 1.2420787 2.3346767 12.71638 -1.4993972 -19.386839 -5.2650676 -5.5521755 -5.643228 -6.120266 0.7868983 1.6967093 1.2960374 -4.960597 1.0321608 5.7363033 4.1330314 -0.70905584 2.4974895 7.2041335 12.459536 2.1698678 22.495459 6.8359313 6.220378 -9.441469 -0.42181337 7.530181 5.0445137 -10.773984 -5.8614087 0.39704564 9.220081 -14.089436 0.63962644 -10.188569 5.2210507 -4.1033397 10.766988 -0.39862776 14.921379 -6.2674785 6.151833 -12.935879 -5.552663 2.56848 6.386305 8.584834 5-carboxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium-3-carbonyl adenylate(3-) is an organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of 5-carboxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium-3-carbonyl adenylate; major species at pH 7.3. It is an organophosphate oxoanion and a monocarboxylic acid anion. It is a conjugate base of a 5-carboxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium-3-carbonyl adenylate.
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3335443 -0.99659073 2.1336248 -2.069561 -0.9125821 2.215635 -6.303978 -4.153717 2.6356375 -1.78391 2.6456885 4.091647 -4.325707 -0.5163245 2.9794888 2.807755 -3.0135489 -0.6044571 -0.08671715 -6.446153 1.8928453 -4.169424 -1.5092502 -0.09626451 -2.6410205 0.97291875 -1.0756701 -0.7333232 2.66374 -3.2626746 -2.2656817 -1.9985764 -0.8675971 0.7910065 3.318386 -0.45580006 2.8378496 -0.22404453 1.9277747 0.010027431 -1.1111021 -1.065466 0.7577679 2.220719 -0.04206389 -3.1792102 -0.61293536 5.121539 -2.5278072 -2.5218859 2.505373 3.1375277 1.3860917 2.9771369 2.1550956 -2.2776651 1.2585745 -3.3104537 -2.3997517 -3.2415857 -1.7463281 1.5567315 0.42502904 -0.21871883 -1.38101 -2.9214082 1.4324414 0.78580105 1.4356394 -0.6753402 2.0464664 1.7240803 -0.6599846 -0.46546227 0.07837352 -1.7012533 -1.8090839 -3.0906186 3.8282108 5.2554927 4.8910265 2.246363 -3.1582365 -0.6413406 0.4355941 -1.1854059 -0.67804474 -1.3799562 1.1854934 3.3842843 -0.3142223 -0.3143164 -3.3719935 -2.3311825 0.9515335 -0.13600294 1.112831 3.4724255 -1.9396932 -3.8817096 1.2729694 -3.669037 -0.47975323 -3.548049 0.61984825 1.9118888 0.21879335 -0.2730498 -3.1766973 2.388783 0.45436788 -6.2025037 -1.1780202 -0.6469366 -2.4738617 4.184395 0.36285913 3.3168757 0.3979984 -0.7936693 5.0706153 2.248526 -1.6733046 -3.9737034 -3.03164 3.7526379 -1.3095741 3.2921035 1.2664671 0.8727578 1.8103757 2.709237 -0.25355205 -1.7961056 1.4683452 1.8908077 0.66569567 1.3245945 -2.9906056 0.5237916 2.123694 -1.2333508 -0.5706758 0.5310178 0.55744916 6.573732 -0.69549656 -2.0278475 2.8448465 -2.4649537 -0.31324357 5.8620777 -4.2805204 -2.7450323 -1.5395753 -1.5480387 0.5440142 1.9671581 -0.8923621 0.015739419 -2.0517318 0.8898512 -1.0865643 -3.2895622 0.56142884 3.2477777 -2.4365177 5.074873 1.4754243 -2.514384 -2.3063333 2.077692 -0.40291247 3.9882202 -0.7179523 1.9556143 -0.46727344 4.07465 1.0253243 -1.4950279 -0.20715109 2.9587219 2.219177 -2.4697 -1.70756 1.9082355 1.9545453 -2.5889595 1.3505585 0.7921909 -0.03489051 5.0562134 0.7183671 0.9859796 0.5233964 -3.9320605 -2.1833003 2.3961704 -0.044200193 -1.1383798 -1.7166013 -1.16063 -7.9181676 2.686107 2.8718927 1.6861562 1.9079399 0.50534123 -0.9718569 4.9259133 3.366652 -2.779294 4.3045807 0.023801971 2.567813 2.5671046 0.76111495 -0.028396875 1.0709835 -2.0455763 -2.2888603 -0.21975797 -5.826792 -4.685774 -0.45245564 -2.448973 -1.8014137 3.4718406 -0.79239774 2.2453485 -1.2903781 1.3408351 6.810979 0.28878602 0.34783328 -1.2847981 0.6633741 0.23687282 -0.12588917 0.48757523 -1.1622971 0.9058448 -2.7685828 -1.5018758 0.9655819 -2.0058155 -1.1200439 4.054118 -1.3782392 -1.6280862 1.1071514 0.1205003 3.6425073 2.532439 0.0379303 -3.533336 0.15269947 1.0346489 -2.0126078 0.5220187 -3.6057506 0.57716125 -1.844248 -0.87632287 3.3049264 -2.0108209 -2.160975 -1.1449245 2.595101 -0.27598095 4.1629114 1.1828729 -0.3261674 0.87739676 5.16437 6.160167 -2.5770092 2.9108539 1.4898483 1.6927682 -0.89185894 -3.5113041 -4.26663 -2.0188723 4.5325685 3.8078575 -3.5534484 4.210985 -0.7259034 3.1291556 -0.41098326 3.9504204 -0.79590243 3.8961284 -1.4796363 0.37145472 -2.1424184 0.25162178 1.2196072 1.8884382 1.653042 4-aminobenzenesulfonate is an aminobenzenesulfonate that is the conjugate base of 4-aminobenzenesulfonic acid. It has a role as a xenobiotic metabolite. It is a conjugate base of a 4-aminobenzenesulfonic acid.
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5317844 3.1501272 3.3944597 -3.1946824 -2.4250484 -2.8427243 -1.1985791 -4.3299537 -0.9451392 -0.7505575 5.263211 1.631043 -1.0234095 -1.0667193 8.9591465 0.8483914 1.3807731 6.9873643 -1.60266 -4.0458193 3.2667942 -4.046246 -5.152474 -6.903541 -1.534022 -4.4029827 0.1041521 0.37434214 9.335682 0.938373 -1.7309619 1.3272322 1.262662 -1.2283248 1.6101578 7.0461197 -1.1567966 -0.7072601 2.9730937 -2.9230459 -0.90225774 -2.7130036 1.0938271 6.381508 -0.03607887 1.0330265 -3.503053 2.3764036 -2.3208506 -0.89467454 3.728663 3.8543696 -2.7883716 3.3666046 -0.7223691 1.9412966 3.7162385 -0.04218797 3.4026198 -1.3970617 1.0660676 1.826207 -1.866582 -2.1834702 5.23385 -1.261642 0.84211475 0.5875703 1.8186126 2.5671327 -1.6635466 -1.2033917 3.328146 -3.6386523 -1.6413138 2.2901928 -3.5848405 -3.7584274 5.8816304 3.74367 2.464445 -4.7838016 -0.44674426 0.58325636 4.9770474 3.2670965 -4.4632244 3.4678667 -4.734962 8.798083 -3.819394 0.33173394 0.16924837 -1.2516034 1.7365543 -3.4450977 2.599299 -1.3540468 -0.090397865 -0.45327273 -1.0107005 3.2490275 -7.0663724 -6.324146 -0.7226466 3.965426 2.0377526 -5.1075163 -3.8014784 -3.0863557 4.6884837 -3.5114007 -0.104856476 1.1990236 0.469162 3.2305558 -5.4135413 0.37198287 0.31317884 4.156528 4.2259808 0.19308726 2.0640316 -0.39097774 -1.0772549 4.022402 -7.129483 6.565075 1.7065982 -2.9696329 4.614505 3.549047 1.1379267 -8.798408 3.6762397 6.96053 1.4624465 2.7624931 2.6144912 5.6693606 5.5365896 -4.010742 -0.60023195 -1.2832779 4.0309567 -1.0955106 -2.7056606 -2.042552 3.8893404 -4.932769 1.2470186 -3.2341297 -0.5704557 -5.061155 3.053423 2.8269005 -4.5044613 3.9039106 3.1979837 3.3023367 -3.2643077 -4.9261484 1.9564646 -3.87871 -2.7463264 -5.915065 -1.902575 2.8206372 2.213074 -1.5716014 -0.5634155 -1.6758778 1.8364416 0.31918696 1.639016 -2.5804942 -2.9367204 -1.0780342 5.0314426 -0.37633175 2.15621 1.3087263 2.8756099 -2.282453 -0.708985 2.8678894 -2.8905525 -2.9297626 1.1550257 0.82647264 1.7594984 3.7685292 4.193826 3.6220484 -3.1245766 0.26639634 0.18819618 3.0669487 -0.033348456 2.0234613 3.6281834 2.4335744 -1.5260997 3.4872744 4.0369844 1.4694597 2.6565545 0.5535623 -0.58171284 -0.35618272 3.2647812 1.1015487 0.24863425 -1.3038394 -2.4802434 1.7330898 2.441294 1.2364333 -3.2057648 -1.5925467 0.5166215 2.8966994 -0.57204473 -1.407318 0.5155754 -0.77048707 -1.912687 -1.4629359 0.06680623 -1.2578355 1.8039125 -1.3340498 -2.3409011 4.4482403 -2.471098 1.9407084 2.047352 0.63845116 0.52638465 0.47796458 -4.051388 -2.8531733 -1.3391986 -2.086082 -0.033194512 -3.276298 -0.14578718 1.0926315 2.6169336 0.22649986 -3.5617971 1.6436975 1.6910896 0.3057615 2.9748344 0.060600534 2.6924455 4.347538 -2.881802 0.8486753 0.60424715 -4.9764333 0.60772425 -3.986138 -2.3383853 -6.695286 -0.73699635 0.5851255 -1.0464222 3.7277868 1.1115717 -3.0236528 -1.4923456 -1.7786523 3.2084408 2.1745963 -4.7817335 -1.9005632 -1.138959 -1.7065631 -4.1545663 -9.0014 -1.9102702 -1.055554 2.005651 -0.7986024 -6.769871 -6.0297117 -1.9400684 6.150657 2.290644 -0.11293362 -1.8554527 6.288472 0.53532785 -2.7871456 -6.921163 1.4834954 -1.750323 -0.9583133 4.133037 Alpha-guaiene is a carbobicyclic compound and sesquiterpene that is 1,2,3,4,5,6,7,8-octahydroazulene which is substituted by methyl groups at positions 1 and 4 and by a (prop-1-en-2-yl group at position 7 (the 1S,4S,7R enantiomer). It has a role as a volatile oil component and a plant metabolite. It is a carbobicyclic compound and a sesquiterpene.
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12136678 4.122253 6.5506406 -1.4273714 -5.044962 -8.13536 -9.57984 -8.341043 0.60558957 6.3626018 6.9979334 9.67699 -4.352916 0.14219607 9.090915 2.7816198 -0.31433493 10.691048 -0.7243869 -15.780111 3.9854674 -1.215282 -15.9653225 -11.578269 -1.594619 -10.032475 -3.44334 -0.48322147 17.21085 0.54941 -8.481294 3.8336887 -3.834289 -2.8272789 5.35462 12.219915 0.5250183 -0.77440065 8.961422 -0.43576938 -2.429331 -5.845746 7.4154124 9.788271 -7.6711717 -1.3308119 -6.4186635 0.19245553 0.3116696 -1.3694714 7.8643346 11.410317 -6.77809 5.48222 2.0923915 5.7245855 4.900288 -3.027353 4.4409513 -2.8244414 -0.76581866 5.488205 -7.4943676 -2.2850735 16.43282 -5.0080724 1.6966455 7.6899757 0.7236296 5.6946673 -0.33917072 -4.141098 3.0375059 -10.304349 2.4340885 1.0196522 -1.1581944 -10.028894 15.113907 4.5294747 9.233898 -9.346087 -1.9296736 2.4735837 9.727999 1.1694493 -9.627301 7.068701 -3.3846457 19.30207 -5.2803593 0.30758125 -0.93249863 -3.1506186 2.3807254 -7.0716214 3.7679021 5.192596 2.1390777 -2.7566364 -5.1779957 5.183585 -10.232443 -11.045773 -4.288805 4.867648 4.797987 -4.297549 -12.5806055 -3.7672584 10.987535 -6.4151645 0.0322387 -0.8804349 -1.1370401 12.228021 -4.5649323 -2.389695 2.775086 7.9934263 8.437775 1.5908508 2.1319604 -3.7014582 -1.8228662 7.1522493 -17.803295 14.527625 8.694604 -2.2768433 10.66611 5.0695066 4.2789345 -13.838253 8.354546 16.169645 5.5249324 2.7959163 3.8045592 14.734179 10.311323 -2.962534 -0.007171549 -4.04173 3.4091237 5.317653 -14.992534 -5.3559446 6.6385098 -7.5027065 -2.5630326 -3.059516 1.6786555 -12.40558 4.319085 5.450802 1.0393536 9.56747 7.738745 11.55183 -6.077759 -11.792896 2.7471302 -3.8341174 -8.742163 -6.435767 -2.3438418 18.105972 8.552899 -13.790733 0.0024698898 5.7821584 11.414443 1.2648642 4.722414 -6.9757013 -4.506354 4.7957397 10.25687 -5.118197 -2.0238965 -3.2226558 3.0456536 -14.184073 -0.4236417 1.7610837 0.9901047 -7.7327194 5.4327006 2.5743217 1.6275027 8.365489 7.873464 3.1411972 -2.5294144 6.5789385 -1.8393968 10.873317 0.46196228 1.4635855 5.651751 -2.0289855 0.12496042 2.8285017 11.472719 3.378845 2.715344 7.5580244 1.1444092 4.5186796 7.259421 2.4979832 -3.5616531 -2.4537804 -9.911931 0.4599324 5.0017524 -1.4009525 -2.9799497 2.806304 5.261187 3.8682013 -2.457656 -6.183274 3.48996 -3.9868903 -5.6647806 -3.131711 4.709207 3.0573373 5.1501737 3.2660792 3.7834659 3.888701 -4.1466575 3.1494951 5.1877875 4.170527 -0.14018647 -7.2735286 -8.383518 -4.039199 2.652895 -6.467664 2.1040466 -1.4386593 -5.8460097 -0.33788443 2.8311787 -7.4657903 -7.26898 4.595379 1.5747529 -2.3825097 1.8378513 -1.3677226 4.3554435 1.4776874 -4.4496317 2.4303157 1.6417022 -5.189121 -2.3936746 -1.9740813 -0.8893079 -3.5458956 -2.2204993 -1.048133 -0.1579288 5.5795164 -3.3355308 0.6334973 -3.7625494 -1.1775106 9.456101 10.797649 -1.2270272 -3.696838 -1.0820923 -3.0814395 -1.7289494 -12.769532 -3.9995306 -2.88059 5.1496177 2.3174968 -6.5094934 -6.477249 -2.942031 7.8596745 3.623979 7.8092003 -0.017217323 15.814541 0.41880015 -2.3592541 -18.038881 1.4216113 -3.6282802 2.6026978 8.728651 Ajugalide B is a diterpene lactone isolated from the whole plants of Ajuga ciliata. It has a role as a plant metabolite. It is a butenolide, an acetate ester, a diterpene lactone and a spiro-epoxide.
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86290076 7.368294 16.617613 6.6471176 -12.217837 4.038961 -21.578209 -3.315938 12.717787 -1.0328238 7.9294567 12.681887 -15.932463 -3.2764432 -0.9438915 -1.7543945 -8.771959 0.35926938 7.0099516 -27.716887 5.316969 -16.10142 -14.280287 -5.419119 -22.832182 -12.001939 13.777896 1.1787789 17.167463 -10.598223 -12.467934 0.85527337 -9.208384 -1.5214319 14.260418 21.793598 9.298589 -8.362235 28.73606 -3.176885 12.067684 -13.34795 -12.416347 -4.1162663 -8.454853 -20.738148 1.0880448 -2.492364 7.7753496 -3.8784583 17.244377 21.608543 4.2160153 15.836682 9.871045 19.06665 -13.435313 1.2213864 -0.32852715 -6.2515984 -7.1609306 1.073937 -22.78758 3.3906832 24.841244 7.8469634 2.7194564 2.183588 -0.7989698 8.612458 -6.6306443 -0.45134628 1.1386789 -15.86705 13.052851 -3.7538724 -1.1448367 -13.571692 15.076096 2.8092308 4.7505813 -14.54639 -9.893453 -2.8865771 10.201902 4.2839665 -0.59262073 14.581066 10.272131 25.08101 -11.621113 3.8301048 9.626808 9.408603 -1.5516258 -2.696712 -2.0020194 14.092484 -1.3487272 13.060898 10.438342 16.339857 9.856776 -15.54621 -2.4854608 -14.034744 6.84883 3.9859018 0.16694064 8.379592 19.590538 -13.869741 9.306371 -12.029274 -1.5266556 11.693874 -1.7809157 -4.9615445 5.6814437 17.190075 16.94084 26.752008 5.5070124 -23.428823 -2.9384131 9.674076 -34.66626 22.205502 24.646564 -0.8958225 17.66227 20.15506 -8.535128 -13.49583 15.585012 24.601301 -0.7770586 14.492721 3.0982327 30.506704 7.0567822 -13.02734 1.2412502 -0.3591385 9.712034 31.20934 -29.415182 -9.613242 29.033588 -19.998524 4.253577 13.565199 4.2349763 -18.887741 2.502779 -8.414096 10.476283 21.840626 25.10265 34.845943 -4.5191116 -25.410206 6.353205 -17.240393 -12.953092 15.449377 -2.8167412 25.372484 18.387833 -18.563133 12.209413 15.290578 23.183578 1.3567829 -0.088269964 -5.5561366 -2.4508872 30.508307 14.337443 -16.670128 -21.59063 -3.037534 4.3645973 -13.556282 1.2688249 11.340629 4.7291107 0.20526257 -1.5502529 10.436795 13.400802 7.0791235 28.246904 -1.2059678 1.3668997 -3.8873937 3.4864306 4.7406034 12.262319 4.267003 2.8463438 -16.145811 -4.379407 10.770494 15.071041 7.8231606 -8.90687 1.3398471 3.378582 4.0960646 10.912099 -7.260928 -3.9120097 4.1359973 -14.829369 -4.3793297 1.6060586 -12.635411 -1.1561074 22.75298 -7.0570927 -8.848826 6.151358 -10.608165 13.284414 -32.062992 -4.249543 -11.663917 1.13809 -9.308419 11.497959 1.6880279 8.1476965 -9.39811 -8.21991 1.1604408 1.4625942 28.832006 -2.320894 -11.876668 -0.34999657 -1.3255644 -4.624042 5.2813888 -7.1405864 13.208779 5.1699705 3.919101 -5.7566166 -4.7763357 10.007925 11.360778 -1.5823396 -4.362965 3.9805026 6.4435816 1.4949262 8.314521 -21.786041 -13.082734 -3.9423504 0.83361727 -11.026383 2.735913 -9.056168 14.7049465 -3.2217348 1.5822952 -9.534664 16.353079 -7.7905087 -8.599532 -2.8950195 7.0512676 0.77275026 12.087132 27.124485 -7.558524 -17.70281 15.39295 -2.198198 -2.7416134 -7.7971888 -9.0806465 -5.30676 19.842218 1.4520347 2.8454046 -8.872047 12.739012 8.215174 17.818695 2.0992637 18.972282 -2.9047973 9.415538 -19.32197 4.8567333 -0.9713967 12.116835 12.530281 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3-) is a 1-phosphatidyl-1D-myo-inositol 4-phosphate(3-) in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as hexadecanoyl (palmitoyl). It is a conjugate base of a 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate).
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91972230 10.015909 11.135012 4.162354 -22.395576 10.351416 -12.443373 -9.204426 21.604935 -19.8744 12.082707 15.31622 -35.683582 0.15414721 -10.242602 -8.850677 -10.364021 -8.712528 20.291174 -29.604826 -4.4199934 -20.60523 -14.077629 -3.01942 -47.893066 -8.901365 36.737995 1.2326226 31.397669 -18.914467 -17.369463 6.427369 -16.661552 -3.181104 19.239952 23.055532 16.178877 -25.1172 50.88516 -12.352902 24.447775 -11.264135 -34.988895 0.29014313 -4.251866 -34.01478 -2.2979403 -11.428619 11.100928 -1.2601722 23.727215 21.207716 11.07099 19.479223 18.051992 17.690712 -25.760088 5.8168287 -2.3120015 2.8145428 -9.475963 -7.4782104 -39.271343 2.582037 46.570526 25.493057 -3.2825973 -4.5282407 -2.8409462 10.14845 -11.242918 -3.520238 -8.424979 -13.949658 21.19599 -3.194327 -1.2113738 -0.89845717 20.84529 4.5310125 3.275542 -25.332397 -7.0293117 2.9734547 25.516087 7.5441585 -2.818929 15.467009 8.516064 43.633305 -23.264753 12.759213 25.943323 21.647018 -8.380292 1.4856884 -2.7291129 0.6992162 -1.0865176 18.03246 27.598194 19.063898 18.135826 -20.048126 -1.1303661 -26.575909 21.253262 4.6297865 7.395217 13.075266 36.631042 -15.698487 21.368095 -25.972439 -4.7401624 8.973135 -6.549698 -1.4796547 13.529512 23.278776 35.67715 39.808674 17.860628 -29.956459 -1.823268 12.307684 -51.160385 24.835728 36.932545 3.9694548 20.360737 41.86389 -26.543392 -14.256893 14.495544 24.30383 -9.495513 22.976202 13.338986 45.709618 -5.5791626 -26.24896 4.3595004 3.5764806 18.4594 36.967632 -47.63032 -18.785275 38.748447 -26.965992 6.032983 10.594464 -0.29169708 -22.839102 7.550746 -19.90269 13.307252 23.968742 35.616425 50.509106 0.12121749 -34.904556 7.6220903 -22.749887 -27.85824 24.415152 5.9875026 19.84664 34.322304 -14.682922 26.10137 11.446152 29.767952 -6.5383677 2.0945306 -10.665972 -3.8987992 44.15139 20.37011 -46.316845 -47.54876 3.7787352 6.3038607 -16.364492 4.2718663 28.055616 15.471602 -4.207291 -0.3592639 22.956276 34.331005 7.064931 44.38089 -12.840466 -2.3321562 -3.6513457 7.9026613 -1.7051594 26.409044 20.575428 6.4676814 -24.577293 -3.629896 13.037087 11.919797 8.421607 -31.733183 2.5307508 1.7617396 -2.0791476 1.3120055 -12.203526 -4.9695573 19.940176 -34.650166 1.2341415 -4.6621246 -27.197128 -7.3808756 28.128292 -16.747536 -10.527169 15.768117 -18.744728 16.468666 -64.03541 4.7896595 -20.924711 -0.91359824 -24.84238 29.600674 -1.3348038 4.2697845 -21.045317 -12.604703 0.30501205 1.1740196 40.145084 3.8508408 -13.256259 5.705431 -6.5672183 -15.560506 9.749918 -6.2779737 11.551139 12.877309 10.116778 -10.210375 -13.144037 24.374254 22.108187 -3.8363302 -7.3403563 13.544782 4.2560887 -7.914196 20.80254 -31.144907 -28.792063 -14.622813 3.1437552 -20.930923 -2.1863422 -14.939712 17.044088 -0.79387784 1.3537517 -29.215702 28.500914 -11.370856 -21.800493 -15.47811 0.7564715 5.6116605 3.5968418 36.75597 -16.311026 -19.76145 23.954 -18.518856 -19.21513 -9.668808 -10.935475 -10.537956 31.046564 9.285339 2.869744 -2.1705656 25.250847 21.393665 25.254805 5.1236897 22.897173 0.27439567 10.6520605 -28.039991 23.650948 -5.3860717 16.002651 21.49486 (2R)-2-[(1R)-1-hydroxy-20-{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl}icosyl]hexacosanoic acid is a C80 mycolic acid having a C54 meromycolic chain with two cis cyclopropyl functions and a saturated C26 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra. It has a role as a bacterial metabolite. It is a hydroxy fatty acid and a mycolic acid. It is a conjugate acid of a (2R)-2-[(1R)-1-hydroxy-20-{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl}icosyl]hexacosanoate.
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44229120 6.9237366 14.702981 -7.6296554 -11.990751 -8.465906 -1.9465678 -16.348932 6.5104623 -4.472366 7.7759156 11.770157 -17.07687 7.198862 32.73927 5.7503495 -12.572028 14.655162 -1.5668745 -16.701836 5.5017576 -7.5770636 -7.040733 -1.9334093 -15.643363 -9.8032 4.495825 -0.36270884 16.068079 -8.101695 -5.260113 -6.290206 3.4637234 5.182127 12.558767 5.2570324 7.462059 2.1861 10.862619 0.29418105 2.358692 1.0605677 -6.734602 -0.8524456 -14.202062 -2.9945462 -5.555675 8.510627 -11.778694 0.045648836 6.26905 11.010702 -2.437169 10.008211 16.9874 6.606008 8.495777 0.20183374 -7.0783567 -5.4745865 2.7993264 4.0464087 -7.3400483 -10.4122095 9.281552 -1.872249 -2.8173423 0.21776055 8.320334 2.1450398 -1.5791166 10.840253 3.4207318 -15.816181 -6.1248264 -6.796811 -1.2323471 -10.292856 12.74187 18.82684 13.876519 3.394013 -10.2154045 4.7451572 4.9824047 2.0618567 2.0580308 -3.2291074 2.81476 8.12212 -9.881866 -14.48804 -1.2012248 5.2866063 -4.1037526 -2.2605336 5.3155794 4.81532 2.8215036 -4.5671725 7.0866957 4.778694 -23.067581 -15.051085 -8.387208 -4.361654 3.702372 6.4773674 -7.477596 6.5774765 0.50269794 -6.2002964 2.0279744 -16.397947 -7.7459135 3.3719735 -6.2699614 3.0216782 -6.7082763 6.094941 14.75217 17.266478 -7.363573 -7.8419223 -6.650423 9.261177 -15.030458 14.403107 1.6541245 -5.7377615 6.068628 9.558645 -12.677308 -14.048215 -7.037404 19.72713 7.4587865 2.2354045 -0.94262135 17.507435 11.042249 -12.927507 -5.0923796 -7.2896013 11.6780815 9.571438 -15.482525 -3.7715464 2.7795444 -16.423874 6.100755 4.690772 -5.9145255 -33.56165 3.3048372 -4.51244 -3.0751812 5.991183 13.105467 7.264116 -14.367828 -3.7702622 8.762323 -3.096366 -9.932323 9.735359 -2.2573495 4.4564004 8.16573 6.1902204 2.7433085 -4.124604 -0.6305461 6.1448708 -3.5549679 4.9264584 -6.4023457 12.07506 3.4353523 2.5723538 5.959439 12.320116 -2.0660179 -7.434614 -8.701816 12.700638 -9.117582 -21.817812 10.880614 6.5969834 5.292387 22.04403 8.548686 -3.0841641 -5.742421 -6.7812605 -0.38299978 2.6399014 -9.0436125 4.2008185 -5.1170983 -3.7788692 -9.064632 6.1215954 5.6305866 -11.1109495 -1.8856968 -4.204333 -7.645376 13.375544 3.534362 -2.5942357 20.793556 9.818555 2.8506336 13.676076 -0.6210952 0.868973 2.825817 2.309757 0.48572475 3.459848 -14.260793 -12.580937 2.468879 -19.526293 -1.3119751 16.460512 -14.410072 4.381807 -11.434562 1.9957814 12.12002 7.644688 -22.389643 6.9577503 2.2349436 10.805098 -0.78903556 8.779157 -0.09939578 7.643413 -6.6106095 -6.7276344 -5.298812 -1.4275544 -4.6688766 6.9916315 4.759415 -1.6734222 1.3200248 6.6046143 9.553629 3.843499 3.622731 -2.9801164 2.4589906 16.59853 -6.3267503 0.017222978 -19.415318 3.0815742 -9.556035 -10.825406 6.558154 -13.099959 12.218919 1.4897906 -0.8819617 -2.09843 4.498492 -6.564715 7.418941 15.98854 14.863757 7.0086045 -8.350358 9.067371 13.105661 1.3557806 -9.106255 -17.420414 -6.3494377 -10.219342 3.782396 7.233709 -3.372178 2.6805143 -4.7776504 10.397938 -8.51516 4.2870445 5.019952 13.250714 -5.0505233 3.418762 -7.6584735 4.804403 8.691664 0.5119938 6.165474 Magnesium protoporphyrin(2-) is the conjugate base of magnesium protoporphyrin, formed by deprotonation of the carboxyethyl groups at C-13 and C-17. It is the principal species at pH 7.3. It is a conjugate base of a magnesium protoporphyrin.
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72551427 5.042973 4.725232 -2.6881196 -2.7940474 -7.2133055 -4.835223 -4.7741756 0.5436969 2.9786339 10.348308 10.310345 -10.508019 -3.1962035 12.678299 3.6154115 -2.2150378 14.823711 -2.9525824 -12.566707 5.0763464 -6.2170086 -16.993467 -8.992865 0.3359046 -9.973729 4.036044 0.16424415 19.036203 -2.356021 -11.270198 1.0959386 0.41410905 -2.523775 8.696586 12.163643 1.6858867 -2.4906178 6.611167 -8.193968 2.4005444 -6.8026333 5.8719645 17.38849 -5.0490913 -6.681305 -3.2860875 1.509101 -0.24187912 -2.3252962 5.7456803 7.2029457 -6.2324777 6.8791513 1.7301159 2.7941253 11.730081 0.15939948 8.722332 -0.71413183 -1.3958864 9.693899 -9.23954 -3.0165288 15.554923 -7.571692 -3.7061076 6.462198 6.7012467 3.2535632 -3.7332354 -6.9687476 2.0208185 -10.769471 -2.3407164 6.5630403 -5.909957 -0.010157436 12.005202 4.798187 7.6033244 -4.764241 -2.7362375 -1.8504716 10.5376835 3.9491758 -7.4427247 2.203951 -5.4572716 13.835572 -3.9581819 4.8909245 -1.8402779 -4.484199 3.8258243 -1.4181229 8.501623 0.45318118 4.570399 -8.77869 -4.8559923 0.6268579 -13.347102 -7.7535195 0.18055512 5.8373823 6.3010764 -9.273183 -11.055766 -4.8401837 10.120766 -10.77247 5.283462 0.77348506 -1.828589 7.687914 -5.6817513 0.43867084 -2.854433 6.876928 12.89266 4.495521 4.493237 -4.3524947 -3.0996408 10.693005 -14.240986 13.055455 4.807812 -4.533009 10.212826 4.221506 1.7282566 -11.25829 2.6996439 12.423258 4.851395 3.620781 4.7257695 14.389627 9.817153 -8.287967 -0.97149867 -0.054945655 7.2000976 4.0873475 -10.996171 -9.421376 5.552703 -5.678176 -1.8521969 -6.2628474 -5.252194 -10.807473 3.573093 7.0055747 -2.5414894 7.452412 6.207674 10.259658 -5.8859677 -6.22468 3.9727411 -6.3861294 -6.894499 -13.966151 -1.020767 12.065406 3.5456238 -8.76858 -4.8383503 2.263445 8.209428 0.28813452 1.9464525 -4.401843 -4.597297 0.041775107 10.401266 -3.486764 -0.6536376 -3.6700926 4.630689 -10.62864 -0.83658195 8.245892 2.2996871 -10.096516 4.892391 4.660039 3.296339 10.924753 7.933857 5.9793873 -8.050122 5.386389 0.24402116 10.908767 -0.5790671 2.0552473 2.45101 0.67734075 1.1681921 7.219522 13.034018 2.3532314 5.5595946 9.422202 -1.3549521 5.3062315 7.3241177 1.4521515 -0.45559812 -7.9018435 -9.3916025 5.172973 0.3652467 -0.49326253 -3.087397 1.9814214 3.168744 6.466865 -5.2185855 -7.7978115 1.0757458 -2.508811 -10.170751 -3.4222846 4.3165326 -0.09214895 8.733903 -0.7697084 2.0378356 3.3214996 -5.907632 3.6082103 3.2779517 6.641633 -0.89230335 -3.6684217 -13.875199 -5.664606 1.7156372 -7.6167583 2.5514395 -7.5983334 -3.8812091 -0.7772871 7.4958754 -6.342533 -7.94411 4.0685816 3.2108285 -5.1640987 1.2971315 -1.7190275 10.564781 8.0464735 -4.3649144 3.5864792 0.24805155 -9.075474 -0.113567285 -6.659373 1.0662549 -4.9217243 -5.6846128 3.9091346 -1.2680671 6.1131277 -5.241667 1.3158247 -2.3843594 -3.1911628 14.570649 9.5744705 -1.4255724 -2.8661478 2.9900167 -3.8213031 -8.050395 -15.733995 -2.3115392 1.0102341 1.8112491 1.4770707 -7.12713 -14.022861 1.9793124 13.258277 5.4590764 10.096025 -2.6703308 18.079165 3.2624667 -7.178354 -17.130808 2.2676342 -4.111302 3.7003813 8.756338 Dysolenticin H is a tirucallane triterpenoid found in Dysoxylum lenticellatum. It has a role as a plant metabolite. It is a cyclic terpene ketone, an epoxide and a tirucallane triterpenoid.
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122391231 2.760886 2.0370257 -1.3770329 -2.9338098 -3.08864 -2.5568163 -3.413801 2.812754 0.40974683 5.78662 3.1485734 -3.3813634 2.0319939 5.0932484 2.805016 -1.1461248 5.9154186 -0.9871092 -6.716313 1.7218238 -1.321236 -7.175227 -4.2334046 -3.4355507 -4.4519224 0.7028949 2.1762125 9.9335985 -2.2084775 -5.2002325 -0.8284868 -0.11264838 -0.08977566 4.652548 6.067632 1.8733027 -0.03917703 3.9445503 -2.3344023 0.3551853 -1.1360759 1.4069697 6.3143883 -1.9888952 -2.941298 -1.2363136 0.86922437 -0.24454975 -0.55892944 4.097748 4.7717667 -4.149626 4.4190555 1.5201119 2.8851206 2.1849005 -1.0370855 1.5892248 0.20246187 -1.72568 4.441395 -4.0487747 -1.4231774 7.9000826 -3.729012 -0.39009577 1.3671887 1.3570535 2.6385624 -0.953827 0.110382915 2.7588422 -6.4286413 0.014952578 0.12814143 -1.72071 -3.3092103 4.076454 2.910571 2.530913 -3.2559226 -0.6453506 0.7927745 4.707837 1.1759671 -3.2247007 1.30251 -2.6749158 6.020532 -2.209555 0.6824616 1.5303115 1.4374816 2.112115 -0.97510946 1.4626068 2.1844277 0.107726306 -2.6432064 -2.107923 1.4794487 -4.762486 -4.8020782 -1.3985626 1.575131 2.818923 -3.179522 -4.3325014 -0.38241014 4.027692 -3.7701423 1.9638014 -1.8417195 -1.3157804 1.710276 -2.854295 0.20064214 0.9258801 3.395942 6.3522873 2.9985185 0.89899176 0.3740645 -0.5721801 3.1328468 -7.7645073 6.310878 2.4466143 -2.6869235 5.241569 3.4892035 0.44349083 -6.202513 2.72156 5.9691787 0.9941009 0.7945825 1.8725277 7.854626 5.860552 -3.1810656 0.47502476 -1.5711895 2.793841 3.5383868 -8.948543 -3.4811156 3.0509794 -5.759772 1.0526111 -2.3512213 -1.7844088 -6.8793035 2.1220677 3.1800318 -1.0116055 4.6368012 5.003289 5.8868604 -3.2811255 -6.4882207 1.6450872 -2.0077622 -4.168748 -3.5634453 -0.74380183 4.7615576 4.6267605 -5.1704693 -1.0396736 1.4746797 4.252091 0.34783798 1.439912 -2.0038326 -1.8897352 2.9842005 5.659882 -1.1888208 -0.78994477 0.07072109 1.7027391 -4.8459854 -0.6426799 3.4359133 0.5671998 -5.412075 0.7009126 1.181734 1.3039689 4.0040593 5.3557205 1.5999494 -2.6042542 1.2916464 0.91391504 4.052719 -0.39277124 1.8109319 2.477506 -0.2197224 -0.7061841 3.254537 5.276908 -0.80791056 0.005732104 3.0755138 -2.0185742 2.7510757 3.2749846 -0.05706045 1.6958449 -1.7455192 -5.192259 2.5872915 0.2381084 -0.18538623 -1.159286 2.0214746 -0.5748208 1.5933143 0.3021049 -3.7598336 2.1239138 -3.3408823 -1.9440358 -2.115006 1.9105992 0.8837737 2.8819263 0.8763671 1.346539 0.85101676 -3.3409414 1.8793721 1.8353387 2.8286 -1.2825279 -2.109812 -5.422585 -1.9923886 1.7403401 -1.3687433 -0.3970387 -2.256289 -1.1420987 -0.98365146 1.367952 -2.822804 -1.8246076 1.5811408 1.5108502 -1.4216064 0.42794913 0.38891035 2.2053697 3.607077 -3.037097 0.4514154 -0.7496158 -2.840426 -2.3335116 -3.4143782 -1.300611 -2.5394752 -0.11975732 2.8654048 -0.73225105 1.8126498 -1.805383 -1.3557098 -0.44193733 -0.21017765 4.83939 2.0188267 -0.94642234 -1.1202025 1.5019405 0.29969057 -2.0500863 -6.788639 1.6119024 -0.015328314 -0.45732975 0.924759 -3.7260835 -4.162688 0.73823875 5.0376644 3.2193916 4.138596 -0.16745317 6.4412026 1.527942 -2.5442994 -6.8776774 2.937851 0.21722806 2.3816154 3.6455479 Alpha-bergamotenoic acid is a sesquiterpenoid that is alpha-bergamotene in which one of the methyl groups attached to the exocyclic C=C double bond has been oxidised to form the corresponding carboxylic acid. It has a role as a plant metabolite and an insecticide. It is a bridged compound, an alpha,beta-unsaturated monocarboxylic acid and a sesquiterpenoid. It derives from an alpha-bergamotene.
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5288728 -0.1338818 7.7935615 4.8887014 -2.9982498 2.5881693 -17.251251 0.025881767 1.5749162 7.440789 4.470236 1.3679084 -8.255863 -7.934703 5.461805 3.4843612 -3.9900985 3.5060766 -4.2310004 -23.794035 8.635412 -6.7438803 -13.026414 -8.16228 -9.993561 -9.072296 5.357912 1.2113149 8.03737 -1.2741623 -6.442525 2.2931988 -2.9924526 2.1061294 9.462349 17.512794 2.1770635 -6.4126806 14.831279 0.385544 2.6526194 -10.847308 -2.1637964 -1.7633461 0.28526187 -6.2403855 0.14683664 -1.7255169 6.7594643 -0.12600069 20.289324 8.322486 -0.9608213 10.121188 2.1142418 13.42092 -2.838959 -2.2788508 6.136031 -2.2702758 -3.0280888 1.436118 -11.218975 0.7645667 10.112675 -0.63463885 -0.6160077 1.7090595 1.9072018 -0.22182275 -7.424869 0.080308855 2.4898336 -8.268843 6.7137756 -0.09867591 -4.6194715 -12.66228 12.787914 -1.6894512 1.7264032 -9.201629 -6.4114747 -3.3480623 4.8261747 4.6833057 -1.1053303 9.439835 3.2771745 11.773696 -6.1082807 0.857889 2.387372 2.0305288 0.3689803 -0.12098999 -5.373629 7.155811 2.7608197 3.0573473 1.1302056 9.873883 2.093828 -12.656105 -0.11697631 3.6432133 7.011806 1.4700285 2.7145925 3.053649 7.56184 -7.7591867 8.145787 0.9479871 -3.1279674 13.032318 -8.122799 -4.499796 5.335611 11.175325 10.437998 13.49098 4.741241 -13.66223 -3.0937688 5.5914764 -22.802969 15.13361 10.134865 -9.501285 9.157367 4.828217 -0.9816777 -10.412346 14.297922 20.386547 3.669517 7.499108 -0.90929294 17.082764 10.60478 -10.881855 1.6165652 3.362512 4.6734924 22.898693 -11.731304 -9.395394 17.87682 -13.8820715 3.5094872 9.80483 3.4355512 -9.70927 4.112363 -3.7333899 7.7560797 17.186993 12.783433 21.947548 -3.6975923 -18.264614 1.7474949 -9.214391 -3.827498 8.995689 -0.9563356 25.771666 9.797204 -9.3984995 3.6715865 8.898531 13.281914 5.6784973 -2.716297 -3.679626 0.800098 15.749987 11.391578 -7.921683 -7.219057 -8.979739 2.8659234 -10.023785 0.22966829 4.5213027 -1.2809219 2.8109052 -6.92036 4.6003633 2.7182884 6.018145 10.163758 -0.23408681 5.847633 0.18710801 6.9931355 1.0758425 4.024086 4.212074 2.6655545 -1.7977434 -1.2537218 6.1029468 12.50377 5.1926885 -4.847199 -3.189475 0.5529961 -1.2448763 7.477547 -0.83739436 -3.003131 -4.3825912 -8.389521 -4.5532565 6.446778 -4.8835816 0.17348069 7.4579296 -7.525636 -3.8927016 0.5506009 -2.0268557 9.525856 -11.053878 -7.4663057 -10.365131 1.304046 1.8009981 6.071559 0.3533146 2.7317839 0.65150744 -0.24820311 -2.2835474 1.0873731 14.953839 0.21121792 -13.155186 -4.0623155 -3.4357178 -3.7723792 1.3053696 -2.4996476 9.032955 4.145775 2.4982262 -7.1489825 -3.3247044 1.665923 4.6250854 1.9780519 -5.5322323 5.356509 7.224294 5.8306217 2.11427 -15.86493 -9.326239 0.7174269 -5.711481 -7.2139807 1.938817 -2.9215622 5.1087894 -4.194278 6.354645 0.10596526 10.313455 -2.3269336 -1.8997966 -1.178418 1.0700263 1.1000324 12.930104 17.25317 -2.5935297 -7.8461795 9.428195 3.141024 -0.61997956 -4.17788 -0.5819101 -1.8376776 12.23316 -5.2361484 -4.037575 -4.314459 12.645782 5.819735 6.042639 -2.496472 16.94711 -0.86522484 6.318744 -14.51515 0.7514799 -3.443873 8.241924 5.6254897 Decyl beta-D-maltopyranoside is a glycoside resulting from attachment of a decyl group to the reducing-end anomeric centre of a beta-maltose molecule. It is a glycoside and a disaccharide derivative. It derives from a beta-maltose.
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6616 3.3899698 2.671917 -1.328249 -0.88113236 -1.6858006 0.05451016 -2.1316254 0.94523764 0.07520792 3.9597554 2.9847958 -2.5255392 -1.0182478 5.0040236 -0.0057642013 0.03854665 6.540417 -1.4298778 -3.8820074 1.7305517 -1.7539005 -3.6728852 -3.2252254 0.15988874 -3.1906447 -0.06615673 0.48394826 6.0683765 -0.03193924 -1.8829833 0.53181416 1.3839067 -1.3196319 2.746243 3.8675709 -1.319447 -0.7876934 2.0116196 -2.29513 -1.2515554 -2.1998608 1.111041 5.38799 -1.103719 -1.37372 -1.7014947 0.5412828 -0.77529013 -0.08583743 1.8478819 2.0625675 -2.4725661 2.160121 0.3535478 0.54544216 3.8719115 -0.34936726 2.692682 -1.0570992 0.05957824 3.1152122 -1.2157909 -1.2282782 5.5755005 -1.5070006 -1.1819599 1.6432774 2.3328655 1.0754923 -1.6091213 -2.575176 0.8710957 -2.5879858 -0.41780943 2.1978877 -1.725492 -0.5763391 3.7498448 2.3140986 2.0745502 -2.0083365 -0.2458489 -0.38353407 3.7690508 0.6998572 -2.7135103 1.3613193 -2.9267104 4.2370496 -2.3369226 1.4926021 0.33634728 -1.9481448 0.82813317 -1.5246849 1.9855697 -0.55978745 0.6998715 -1.9269094 -1.1469511 0.9897934 -4.493258 -3.147672 0.49644327 2.991731 2.6566577 -3.277671 -3.388069 -2.1185272 3.4126992 -3.2728374 1.4027505 2.3837993 -0.7757688 2.4716752 -3.4709864 -0.18252032 -1.9240224 3.0871122 3.1884263 0.33483768 1.248186 -1.6900337 -0.9269005 2.8802078 -3.7586744 3.052773 -0.5664011 -1.338099 2.941441 0.78121054 -0.28242564 -3.758213 0.48294097 3.4797266 0.59303325 2.211258 1.9105262 2.537465 3.410792 -2.02324 -0.971856 0.19148004 1.8786196 0.4539304 -0.6334202 -3.2601466 3.0241587 -3.3860724 -0.15117556 -1.8032321 -0.521915 -3.276906 1.0897623 2.0971642 -1.8544276 1.6487775 2.322209 1.8457255 -2.186323 -1.9818932 0.70306313 -2.1881585 -1.7079384 -5.1479807 -0.38218746 3.7696939 1.2496535 -1.8309528 -2.2644463 -1.3445572 0.9075889 0.16066544 -0.59653145 -0.7578017 -1.7037145 -0.70395666 2.530795 0.19257787 2.0867016 -0.24858685 2.2883506 -1.2346568 -0.27202922 2.544842 -0.8683129 -2.9555907 -0.65944743 2.0588565 1.024309 3.8648975 2.2606053 0.40089548 -2.901325 0.6787889 0.90644133 1.9014012 -0.20854053 1.133424 1.838465 1.8769692 0.045570105 2.0943913 2.9269686 0.7000536 1.2617712 1.4820486 -0.6700702 1.5510367 2.4850657 0.4373446 1.2017658 -2.2138684 -2.7638516 1.5852143 0.72672915 1.2037243 -2.4836333 -0.8236291 0.6915342 2.3585532 -2.080289 -1.009623 -0.19668642 -0.7663857 -2.7112086 -1.4613402 -0.69020915 -0.09237355 2.411898 -0.42868328 -0.563722 2.008629 -1.3326806 0.5940957 2.2193635 1.8599273 0.044235826 0.33213726 -4.053549 -1.4927745 -0.715014 -1.3927442 0.6182976 -3.0782325 -0.9856569 -0.19187835 2.164296 -0.8799419 -2.3629787 0.76271075 1.1116289 -1.1979265 0.3803149 0.086274415 3.4968023 3.0967445 -2.5094447 0.44033673 -0.23308396 -2.64515 0.67787147 -2.9238482 -0.7115598 -3.8252459 -1.4973772 0.7273855 -0.9940392 2.20592 -0.06583745 -1.1096911 -0.5533756 -0.95965177 2.6086276 2.2038581 -1.9210027 -0.059953764 1.0768001 -0.79399455 -3.4294858 -5.0980873 -2.6549246 -0.18387386 0.46032688 -1.3007032 -3.414692 -4.941797 -0.45215076 4.0300465 0.98716956 1.0222111 -1.3573062 6.247715 2.216834 -1.5362147 -4.646407 1.6425514 -1.1848677 -0.29942313 3.3889477 Camphene is a monoterpene with a bicyclic skeleton that is bicyclo[2.2.1]heptane substituted by geminal methyl groups at position 2 and a methylidene group at position 3. It is a widespread natural product found in many essential oils. It has a role as a plant metabolite and a fragrance. It is a monoterpene and a carbobicyclic compound.
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91665 2.3484116 5.0463815 -3.5949748 -0.53992486 -1.4480381 -2.5417113 -5.216239 0.90586764 -1.036255 0.69768405 3.3564699 -3.591295 -0.118995935 7.673707 0.24703366 0.31995422 4.2772603 1.784785 -2.4150312 3.5421016 -3.84747 1.1808984 -3.2135172 -2.7197607 0.14136139 -0.34341374 -1.5497885 6.7797112 -1.0131912 -1.159996 0.42599523 -1.0178664 2.1725717 2.741509 1.5148702 0.9551532 1.8419989 0.67342514 -0.8356057 -0.5170859 -2.546061 0.420995 3.1590602 -2.0143437 -0.3298759 -2.231467 4.074868 -3.6650338 -0.9198449 -0.5435452 2.165083 -0.46482223 0.5630238 0.94499487 -2.5386982 1.2484773 -1.7896901 -1.7492908 -2.170532 -0.36944085 -0.32167023 0.43057382 -2.2201025 0.9774891 0.3012324 0.83385223 -0.5460434 1.7737796 -1.0229442 1.361408 0.25651243 1.3209349 1.3952279 -1.8096521 2.201648 -2.6376634 -0.929132 5.1055098 6.1396227 4.4811187 -0.116223514 -3.1396484 -0.29181898 3.227664 0.51065195 -3.2578406 0.43725425 -2.3869402 8.408039 -5.0025883 0.42471385 -3.280582 -2.5191486 -0.10294977 -2.1851118 3.368919 -2.4788868 -0.86234015 -3.4631495 0.84039897 -0.79607195 -5.136235 -3.9623501 -0.55553997 2.7004576 0.6035435 -1.1747468 -3.0644448 -1.6345569 2.9022803 -1.3678243 -1.7276776 0.21408784 -0.95709074 5.2361374 -2.366033 0.49150634 -0.08508415 2.4505782 3.4226289 0.030296084 0.21561457 -3.0532901 -0.10655013 5.186754 -3.9651816 4.630004 3.6656694 0.20718911 3.8930142 2.7876797 0.64777565 -6.3256235 1.0318387 5.189308 2.1618743 1.8144797 0.9947034 0.71622163 3.8604422 -1.598641 -0.6812616 1.02631 3.5616493 0.9945503 -0.3421627 -3.6199548 2.8763435 -1.6654298 0.59416384 2.0214875 -3.3349662 -5.0493197 0.04905591 -1.9937145 -1.3670037 2.190991 -0.28746343 0.06944479 -2.733312 -1.0813762 -0.32034418 -5.9155264 -2.3674357 -0.6870463 -3.8886724 4.214725 1.5351801 -0.974353 -2.207484 -2.3532987 -1.6302404 2.9374855 -0.7244181 0.4916473 -1.0594214 -1.8584926 0.9152734 -2.2559645 2.817953 3.8364604 0.64221346 -2.514079 -0.8364286 2.682255 -1.2504233 -1.8207028 2.1453571 -1.8775549 1.467355 4.209294 -1.0074328 2.5773997 -1.7019726 -3.6476283 -0.013798177 2.1607418 -1.1053799 -0.4892213 0.24933681 3.6673346 -4.034441 2.1252384 1.2570353 2.4050794 3.2479665 1.4485705 -2.291349 1.6509053 2.0048478 0.074284025 2.1827893 1.3357553 1.795652 3.4952602 0.31468487 0.5483658 -1.4443651 -2.7740297 0.29044142 4.258341 -5.5777206 -3.038808 -2.136033 -3.200285 -2.1852818 2.9810023 -3.1261172 -0.31726366 -2.4958096 1.4899006 1.785246 2.8288918 -0.55260974 -0.23014116 1.3268304 -0.6542606 1.2273539 0.9576819 -1.1118157 -1.9104668 -6.538696 -4.6883407 0.9425235 -2.9340217 -1.5905107 3.577009 2.2622402 -1.9154595 -0.19213822 2.441884 4.311486 3.9136271 -0.6174875 -3.1461146 0.21906549 3.3674393 -2.616959 1.0295001 -3.4602685 -2.3071592 -0.44769245 -3.5055885 1.8556236 -6.798416 -3.0535748 -1.5354531 -0.31945226 1.7468987 2.7543035 1.4287412 -0.74814504 -0.2439889 6.1721535 4.9302797 -3.6147897 1.0605774 0.52453566 -4.2142735 -3.1778665 -6.8620734 -4.333973 -3.9815667 2.8386233 1.6556251 -3.8219159 -0.620206 -0.16273442 2.4045453 0.5845564 -0.26804858 -0.5732084 5.1153584 -1.7737856 0.75986075 -4.188412 1.2779511 -1.1283599 -0.8019339 2.9634528 Pyroquilon is a pyrroloquinoline that is 1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline in which the hydrogens at position 4 are replaced by an oxo group. A fungicide used to control rice blast, it is not approved wof use within the European Union. It has a role as a melanin synthesis inhibitor and an antifungal agrochemical. It is a pyrroloquinoline and a delta-lactam.
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118796936 -2.137718 7.1609426 3.8585107 -0.7781666 -0.093448445 -21.550337 1.9090897 -0.4171457 13.461053 5.8608804 -0.21154818 -4.8589606 -10.853502 8.339841 5.6464443 -1.3046304 7.1117406 -9.889106 -27.546453 12.830868 -7.199072 -18.469131 -12.850919 -5.3747087 -10.087278 2.3429184 2.7116213 8.492007 1.9907197 -6.534216 3.165348 -2.2494054 3.0629063 9.941609 19.678469 0.13500303 -6.304712 11.40708 1.4716259 -0.5767309 -13.110463 5.094642 -0.8766552 1.3736767 -2.7725554 -0.3456649 -0.5803821 7.3655143 -0.766916 23.173677 7.823389 -4.8823447 11.898593 1.1935803 16.861776 0.64998966 -4.474019 11.920774 -4.6554723 -2.137167 5.2435718 -7.5801406 1.263003 7.8828263 -7.0658813 -1.1994513 5.326626 5.5158334 -0.4255261 -9.529785 0.53555936 5.4714117 -13.032673 5.2097483 0.7480308 -8.021155 -19.74344 13.062617 0.30741248 3.340087 -12.007417 -8.182788 -5.495882 3.8458319 6.6985474 -3.857496 10.135408 1.8740911 9.664904 -3.9834402 -1.4526082 0.05607838 -0.30965814 3.8581586 -2.9055226 -4.6213655 9.389268 2.5128253 0.65147823 -5.4916515 10.942584 -1.6639669 -15.251897 -1.2041521 11.82937 5.3220963 -3.0919795 0.54628664 0.94740653 6.682626 -9.3641615 5.9915333 5.138035 -1.912296 16.846312 -11.598322 -4.6203384 6.313607 12.051363 8.563668 9.915265 3.6734474 -12.672336 -4.699705 8.240325 -22.537806 18.556612 8.785473 -14.748646 9.107015 -0.15164602 5.2763777 -16.314888 19.556461 23.82636 5.0344257 6.137539 -3.2362814 17.228882 16.686665 -9.172107 -0.6197581 3.3203921 5.233682 23.745022 -7.7198815 -9.387179 19.190002 -14.794218 2.4965086 9.309352 5.5342364 -11.367136 3.9423845 0.03539212 5.599825 21.472378 11.478694 22.129934 -5.885594 -21.80015 0.7606155 -10.880876 -0.4231962 4.9121366 -2.9503448 31.012733 9.885932 -13.861539 -0.8928585 9.181126 13.228097 8.677632 -1.8499317 -3.9630663 0.27777332 15.302178 15.145736 -3.3292072 -1.4524043 -11.346207 2.6681795 -11.70869 0.8811249 1.2681079 -4.296086 2.676281 -9.615666 3.9375763 -0.8785893 7.7591467 6.699237 3.2833138 6.398075 1.5373194 8.681224 2.3128557 1.278353 2.6970851 3.6816118 1.6370442 -1.3913193 6.736979 15.441594 6.56003 -0.4239198 -2.191385 0.109265804 -0.68436575 9.007026 3.2023346 -2.8315208 -9.262154 -4.362018 -5.756257 10.173799 -1.3961506 -0.65275437 4.0619345 -6.8473725 -2.4507778 -1.08814 -1.0514239 11.033916 -5.018098 -10.902339 -11.266083 3.8237627 5.0571427 4.7040796 0.882759 2.522541 3.4362302 2.003269 -3.1900344 1.7564209 12.288021 -1.107209 -15.378272 -8.105453 -4.281672 -1.0159616 -1.0564988 -1.5395173 9.340915 2.7491992 2.2381089 -6.9497895 -3.0955763 -3.688568 4.855663 3.8781579 -7.703657 6.4644933 7.242273 9.177219 1.0397316 -16.38933 -7.050526 4.7560935 -9.046261 -6.897726 1.7066587 -1.348204 1.758358 -4.6423807 7.8153815 5.585522 12.242601 -1.766532 1.4429123 0.39673868 1.5736154 0.05175528 17.371881 14.575417 -1.688993 -8.131748 7.3066597 7.227904 -0.11313951 -3.7780209 3.4910815 1.17278 9.947469 -11.722055 -7.433064 -4.9946027 14.2541 3.7007346 4.9800615 -8.181673 20.747185 -2.1514199 3.816473 -18.49486 -2.53995 -4.18219 8.594667 4.982503 Alpha-L-colitosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-D-glucosamine is an amino trisaccharide which has an N-acetyl-D-glucosamine unit at the reducing end with an alpha-L-colitosyl-(1->2)-beta-D-galactosyl group attached at the 3-position. It is a glucosamine oligosaccharide, an amino trisaccharide and a deoxy oligosaccharide derivative.
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5057599 -5.1353893 7.1477723 -10.683937 -4.6302543 2.8445954 -18.381973 -15.901645 6.38306 -11.815475 11.6780615 16.085543 -18.136497 1.4856 12.307674 12.795735 -4.4189377 4.8813815 -1.0592808 -24.75202 8.81403 -13.858949 -3.7756526 3.2246284 -11.848778 4.0335026 -5.512184 -1.32647 13.059746 -11.441103 -12.823554 -8.15743 -1.6835814 3.7991462 8.165063 -6.2950845 10.82883 0.6699249 5.7877483 1.4130898 1.4135768 -6.3081403 5.091088 0.38559765 -2.859914 -4.6408343 -4.7700415 20.560385 -12.663742 -9.611694 9.758179 14.069097 4.9728594 8.915818 8.658357 -1.32582 0.30801114 -15.42309 -6.5370483 -11.483891 -1.0604457 6.930534 -1.1973673 -1.7353067 -2.7693384 -7.0484805 6.2732086 2.8789544 4.388188 -3.5826092 6.83892 5.9440255 -2.0635495 -5.598267 3.705819 -7.4507694 -7.25122 -11.993127 9.807687 19.817188 20.659094 5.778061 -13.778804 -4.230265 4.782055 -5.859007 -3.1961105 -1.5509123 0.35208583 14.852716 -1.1595567 -0.2181949 -12.18363 -9.6213455 4.5460534 3.082833 4.519922 10.421783 -8.105253 -14.124962 4.370301 -11.8092785 -3.336234 -14.7665615 -2.281108 11.4314165 -1.9219624 0.13860694 -12.264325 5.5600433 3.3706427 -18.77301 -1.8308796 -8.108978 -6.0957394 13.233778 -4.069641 10.22432 1.7402226 -3.0787454 16.581356 6.0891647 -7.584315 -10.350318 -10.970497 19.761679 -6.186513 9.337055 12.839254 3.0906167 7.108144 10.233345 -0.64857376 -11.162822 5.252919 5.169865 0.25763297 -3.7589993 -19.651428 1.0327983 10.473455 -9.292502 -3.8179884 0.6264268 3.7777808 25.344315 -7.3256745 -7.8017983 5.919743 -13.245583 -0.8221744 22.26715 -16.022572 -15.389435 -1.6343699 -2.2678926 -0.62217593 6.973587 -1.745864 0.20454393 -9.538289 -0.8669628 -2.7656298 -11.171561 0.3579083 15.716769 -7.9311485 19.79008 6.1046762 -9.547833 -12.43168 3.7933843 -1.8255504 14.371621 -1.5829616 7.490652 -2.8603063 15.613991 2.6278696 -13.994621 -2.579402 15.66573 5.098566 -10.266458 -4.369256 6.4713545 6.004997 -14.81375 7.6827474 -2.1550326 -0.46768954 19.924799 -1.6229005 3.6401634 -1.3045655 -16.621958 -6.97289 9.865125 1.5736128 -2.9037728 -7.602496 -2.6123083 -30.801098 6.983567 8.9763565 4.8396106 6.022238 2.8540466 -3.337341 18.848803 9.655393 -10.29773 19.60988 3.5904129 6.4692554 11.365187 4.17944 -3.8491628 6.4753685 -4.5888324 -8.448594 0.5315964 -20.819548 -14.290316 -6.1845884 -12.373921 1.0268278 18.98718 -5.344921 6.425881 -6.649996 5.007498 22.837038 1.7551409 -1.3932693 -7.271572 3.7862692 -7.0690026 -0.19512418 2.1146939 -4.421678 4.6412005 -14.666907 -5.9846935 2.0475383 -4.9468365 -4.2953715 15.628711 -3.505245 -6.5742197 9.345416 0.74291205 14.993178 11.717432 -1.5378397 -16.438444 1.4159106 5.758351 -7.9543805 4.1302323 -12.255181 2.4112449 -9.827045 -7.160543 8.554119 -15.398915 -3.4194043 -6.7972407 8.72826 0.17812774 12.566885 3.6679394 -5.1395726 2.2190773 25.581753 22.225641 -13.042283 8.888349 13.174882 7.3303 -0.13669686 -18.851479 -20.0548 -10.023012 15.447245 16.833834 -11.5342045 17.097574 -3.3386817 10.5695715 0.18334451 7.655287 -1.6360964 15.655799 -5.261685 4.2345734 -7.110099 2.8699594 5.7399635 8.398191 8.376875 Sirius red 4B(2-) is an organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of Sirius red 4B (acid form). It is a conjugate base of a Sirius red 4B (acid form).
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49792050 3.1320362 21.899824 2.0684857 1.1733785 -0.5077649 -31.644363 2.827874 5.2958922 14.880076 7.606898 4.267243 -9.391377 -11.866594 11.797044 3.4555235 -0.98330665 9.025582 -5.6971865 -37.631634 22.726633 -12.599805 -24.67617 -21.401945 -6.957068 -16.783236 5.9683585 1.5519615 11.625918 -0.16207914 -8.057388 2.1759143 -0.9821255 4.6476526 14.371085 26.156534 1.1726749 -4.1958866 16.74431 -1.7874362 -3.0060186 -18.617083 10.876722 -1.8378243 -3.3721538 -11.806416 0.008427374 0.6222065 4.8573194 -5.9790335 20.473703 14.967531 -4.853638 11.72921 4.712538 19.895172 1.5489097 -4.2702074 11.643763 -10.412485 -8.181642 8.253204 -12.539942 6.414577 21.140175 -8.283709 -0.029809788 6.009239 5.826077 3.7403572 -6.564708 0.80391943 10.382445 -20.766727 7.663977 3.7141407 -3.180391 -22.33002 18.216352 -0.3935541 7.564926 -11.538412 -12.270368 -5.1883664 3.2623286 3.4993095 -5.448877 16.012802 5.0254135 16.049772 -6.512521 -2.6270099 -2.862603 0.9369241 3.250498 -5.8717074 -0.91547525 17.915005 -2.540063 2.675511 -4.4962773 18.62466 2.6943347 -20.881657 -4.1012735 8.664333 0.871832 0.74427557 0.99160576 5.35874 11.838718 -12.94286 2.5060787 1.9900877 -0.41621926 23.429895 -10.903428 -5.6711173 3.0237913 15.203962 9.861655 12.773045 4.405301 -29.458042 -2.0269008 8.651747 -24.324306 23.844341 15.61464 -15.555949 13.699938 4.5416646 7.606698 -20.382961 22.312595 36.248947 2.0277946 14.5129595 -2.2255802 24.631252 18.304495 -5.5607185 -0.09235099 2.2749453 8.676665 32.172535 -15.995939 -11.275736 28.322092 -18.077635 6.0806365 15.702337 7.223187 -19.185198 1.612589 -1.2563922 14.835435 29.810198 19.59792 26.144554 -8.924599 -20.912548 -0.053792447 -19.356812 -0.157558 5.720901 -8.136874 42.146667 7.2240195 -15.723609 -1.7016995 13.396472 15.97065 15.329265 -7.827016 -4.655221 1.2795321 25.858309 15.424971 0.64969385 -0.11830492 -13.805444 0.3206831 -15.099835 -0.69167256 10.055507 -0.2678844 7.2912498 -11.890166 6.882281 -3.8952003 12.028465 11.869118 7.8137717 3.1129713 -0.54776376 13.457935 7.628839 0.4514783 -2.4499722 -0.16995613 -6.8421025 -4.304072 14.407307 17.358313 12.978654 1.8444813 -1.7804406 0.14119725 4.025297 16.233524 6.8712378 -1.3146908 -11.47518 -3.0455859 -3.694538 9.762778 -4.106725 3.6166377 13.908682 -5.839473 -7.435005 -5.953049 -1.3011656 17.171722 -9.581053 -16.847149 -15.591716 4.2409234 2.484045 4.9546146 1.0038185 8.169763 1.4451314 3.2276413 -3.5420194 -0.87415874 18.013344 -2.1377351 -17.63119 -11.679397 -2.226509 -2.3243454 -2.5156384 -1.108057 15.0048275 -2.2139072 -4.2136517 -10.452859 -0.21672797 -4.337987 6.9779553 3.9474323 -6.190868 9.007399 7.7698774 13.760426 -0.767549 -24.525553 -6.343385 6.437766 -12.034652 -7.3925233 3.277775 -1.7407722 8.049387 -9.045105 13.168411 2.3476326 9.123122 -6.2724433 0.60155845 7.6171436 3.1863337 -9.364488 22.933811 20.71028 -3.5934646 -16.717865 5.216354 7.9740443 7.5868063 -9.286107 -2.743114 0.3022644 10.439067 -17.115116 -5.025997 -5.9023857 12.143908 -0.97379434 6.783101 -17.75436 23.64799 -4.4503555 3.464605 -20.007246 -7.1602387 -1.8627914 12.358553 10.365952 Alpha-D-Kdo-4P-(2->6)-beta-D-GlcN-4P-(1->6)-alpha-D-GlcN-1P is an amino trisaccharide consisting of a 3-deoxy-D-manno-oct-2-ulose residue and two glucosamine residues (one at the reducing end) in a linear sequence, with three phosphate groups attached. Isolated from the lipopolysaccharide obtained from Haemophilus influenzae.
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135563726 2.7885635 7.904101 -2.86732 -2.23698 -3.1091578 -6.2528605 -8.8300085 -1.3111804 -3.0513294 1.5569319 5.4204736 -4.8026924 0.7826388 12.244846 0.9505292 0.12307353 8.486815 1.913913 -5.3609104 6.800791 -3.6088247 2.0241609 -3.936821 -6.9367466 -3.2632444 -3.1548924 0.52171206 10.936279 -1.9228455 -0.83581054 -1.1186395 -0.8249758 1.8884362 5.0620403 5.172212 0.5929395 1.8380433 3.1536365 -0.55722696 -1.6752346 -1.6549307 1.7632136 3.985424 -1.8301014 -0.13715121 -4.510078 4.122738 -4.1958303 0.84900475 0.8087044 6.3903933 -2.8744388 1.2536415 2.1394544 -3.2221289 0.13888182 -2.8548303 -3.112795 -5.307419 -0.8791282 -0.5078744 0.47998905 -4.8332887 6.540893 -1.0747514 1.0126221 -2.3053901 2.6165295 1.8297081 0.25918016 -0.3033226 4.6092176 -1.7684197 -2.5159373 1.2121681 -3.7437415 -5.8535933 11.168905 7.1841235 7.8171277 -1.0890424 -5.074713 -0.23864737 6.256505 0.2766208 -5.732696 0.07923892 -4.2514076 11.063834 -5.412929 -0.53939456 -3.3254874 -0.339433 2.1905303 -4.205668 4.288103 -3.5158005 -1.0988551 -5.218057 -0.49572006 0.686531 -8.196157 -8.475571 -2.8980687 4.8469653 3.0519814 -0.3679934 -6.8186893 -2.4583693 4.7063894 -1.5438892 -3.014228 -2.2415192 -1.167008 9.08622 -6.912826 -0.029636547 0.75697356 4.670139 5.628252 1.3238258 -0.32011396 -5.116234 -0.51657516 8.7981615 -9.668386 8.986758 4.213905 0.37694457 4.933051 5.3603587 -1.629582 -11.619419 4.931028 9.554895 2.690608 1.7781365 -0.72084934 3.2334454 7.533918 -2.8626332 -0.97134507 1.3558345 5.7732882 6.569116 -2.706981 -3.453797 5.104144 -4.198315 2.4778666 1.9838421 -1.1977726 -11.273469 1.9309092 0.022169702 -2.0466516 2.802487 2.2139778 3.8644218 -7.5372615 -6.187569 1.2636971 -5.5576725 -4.393737 -1.729739 -5.7615957 10.138018 4.7088547 -3.655008 -1.8653029 -4.508049 0.1305471 5.0762634 -0.5954242 1.5371844 -1.5959411 0.39918968 3.3771708 -1.8014326 3.1840122 5.9654975 1.272465 -4.8027782 -1.9659996 4.966838 -4.407622 -6.1551886 2.0700867 0.27109587 2.5811322 8.101563 0.86235374 3.3905897 -4.577882 -4.9343324 1.8584402 6.709594 -3.1424384 0.61065435 2.4859 5.1153355 -4.2021694 2.6388147 2.743828 3.532403 3.9451334 2.973403 -2.2264426 3.984112 4.692878 -0.05053059 3.6350489 0.7008861 -1.1232597 6.8643203 1.5018183 1.0133946 -2.7660582 -3.2909348 0.80164766 5.3185616 -7.47103 -3.1955044 -3.4801583 -6.386473 -2.2237782 2.730632 -4.889208 0.0027212016 -0.82162154 1.9584763 2.645759 4.479582 -0.8938729 0.70251596 1.7928846 -1.5731683 0.69323266 0.21185754 -2.0029984 -0.23539661 -7.4925737 -5.9088755 -0.38119805 -5.258488 -3.1620762 2.6399806 3.2504902 -3.459146 0.978858 5.0202055 4.1986365 3.2460942 -1.1044528 -2.0118644 2.342823 4.670622 -6.264234 0.82470196 -5.1773386 -3.0179229 -1.8096995 -7.5609293 1.4644709 -9.682411 -1.5008942 -2.2220058 -0.17763264 3.1384964 3.2875373 0.35900187 -2.90878 0.9014004 9.246754 7.099974 -4.484033 1.4252329 1.7754483 -4.1512823 -5.847329 -12.552965 -3.9164839 -7.3723407 4.2416244 0.8202846 -4.524021 -0.31112456 -1.0356276 5.1888094 -0.93185794 1.3527882 0.62513584 9.520908 -2.6443923 2.1945202 -4.3577685 1.7983744 -1.896587 -0.07478495 5.365822 (16R)-deshydroxymethyl-stemmadenine is an organic heterotetracyclic compound that is 1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole in which position 5 is substituted by an ethylidene group and position 7R is substituted by a methoxycarbonyl group. It is a methyl ester, a monoterpenoid indole alkaloid, an organic heterotetracyclic compound and a bridged compound. It is a conjugate base of a (16R)-deshydroxymethyl-stemmadenine(1+).
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444000 6.0057545 8.152652 -0.35314548 -2.6563988 -0.0082165 -8.03972 -6.8491187 2.169829 -2.3831804 7.992641 12.675646 -6.7192063 -1.7112842 8.367241 3.184916 -1.2401782 6.75731 -0.64396864 -12.67645 8.500818 -11.068612 -8.376176 -9.610313 -6.598684 -8.263108 5.9276276 -1.9953022 15.178109 0.4348203 -7.0842443 -0.424138 -0.5924578 0.8876931 8.7272415 9.39933 1.7418905 -0.41859603 9.790117 -1.5135131 0.41530758 -10.104813 -1.0703957 5.1738334 -4.9797773 -0.016127825 -0.9493715 7.0277724 -7.090872 -4.4081907 3.2755315 10.002455 -4.7778563 8.383 2.578949 7.2186246 4.9334726 -1.8324733 1.8039267 -7.3664923 -0.86082995 1.5206729 -3.260666 -0.98502827 9.597605 -0.32275486 1.6415391 2.474303 0.12786204 3.1376896 -1.9011812 -2.5447783 5.446314 -6.2276244 1.3626902 0.54608417 -4.271415 -5.3933873 8.393406 9.737874 5.612761 -1.8982439 -4.822148 -2.625455 3.2214303 1.4496343 -7.587369 6.2651234 2.0749917 15.147155 -2.1498744 3.32702 -2.096103 -4.0423255 1.1545463 -6.0025034 5.05394 1.8987219 -0.8114209 0.1747669 -0.024860725 4.9777136 -7.431215 -10.589255 -1.5613087 1.6702957 2.2641354 -4.7337275 -9.111851 -2.1070795 12.564533 -10.447286 -2.726748 0.610322 -1.4986359 8.334871 -3.8381133 0.42057875 0.85121506 2.6568508 7.8750014 7.6510186 -0.79876435 -9.258245 -2.9392817 9.842773 -15.713492 13.865918 7.95147 -1.9306533 9.573116 8.119098 -1.8204874 -13.2801075 7.619008 11.168168 6.680948 8.48464 -0.349352 9.510877 4.648263 -6.4827976 0.7624855 1.085704 4.0718856 4.607454 -8.523387 -3.6117098 8.571296 -6.844355 2.2106504 2.177072 -1.9593633 -9.168518 -1.5004927 2.3080308 -0.7297917 10.314891 1.7996123 6.107383 -4.60056 -7.95383 2.607182 -11.400732 -5.5414176 -4.149989 -6.1019764 13.82594 6.5015454 -9.332389 0.19400491 1.6016895 3.3727531 4.7865314 -0.569635 0.14370325 -6.960323 4.8097186 5.6690993 -4.96398 0.20802554 1.9938823 6.9734097 -10.412642 -1.8176732 5.060855 -0.5238391 -4.5659056 2.4968772 0.6462142 2.0962582 9.478615 7.4077005 3.4720843 -2.323687 -3.3189805 -0.48360866 7.622863 -0.26842666 -1.4908776 2.3663046 0.97652483 -6.435118 6.936941 7.107836 6.1168804 3.3006618 1.3385179 4.15879 2.4554918 8.692266 -5.4246464 3.7585182 1.3001094 -5.2677374 6.345248 1.787261 -2.97667 -1.9736394 1.4300587 2.2978685 4.775372 -9.887369 -7.177536 1.8114688 -3.3442984 -8.202726 2.1032073 -4.251738 1.1840872 0.30687165 1.8430817 4.3189387 2.9689674 -0.29307407 0.90610325 5.1928153 4.4084654 -0.75819284 -1.8843274 -1.11854 -1.6221849 -3.470856 -4.318778 1.7117178 -3.415284 -3.5776267 4.2579393 5.618361 -4.7253304 -2.1258888 3.2963912 3.2865415 3.6521854 3.2813005 -3.7300642 2.3860064 5.4804225 -7.2475767 1.9275894 -1.4316432 -0.9047744 1.5762929 -1.0581646 -0.81411743 -5.0131593 -4.055982 -0.68931556 -2.4950762 7.1996913 1.7450113 -1.2320809 -1.5752841 3.5390992 7.28464 16.369913 -4.128372 -0.7747588 -3.6966615 -2.4326365 -4.9082675 -8.901016 -12.80111 -6.049512 1.749506 4.032814 -6.052105 -1.8379092 -5.697714 6.78143 2.726456 4.6361337 1.1999623 11.201631 -3.8795362 3.3560994 -8.608599 1.8623819 2.9609468 5.4620914 5.831541 Estramustine sodium phosphate is an organic sodium salt which is the disodium salt of estramustine phosphate. It contains an estramustine phosphate(2-).
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37463 -0.6151036 2.4082115 -0.8927508 -0.93236864 2.179482 -1.4201763 -3.0785353 3.032503 -0.13368897 0.53013027 0.42502737 -3.2440727 1.0931809 3.9293518 0.15541068 -0.43962884 0.41549677 0.90344983 -4.9898276 1.7350717 -2.3646734 -0.9027759 -2.131924 -2.6622949 -1.0456839 0.9111652 -0.81129706 1.9693811 -1.6937982 -1.7791994 0.59979063 0.4401693 1.2450918 1.7047721 1.6778697 1.3194436 0.06334594 1.9524722 0.39643282 -0.041441888 0.033283696 -1.1879505 -1.4118712 -1.0624713 -2.5886009 -0.4564493 1.3832915 0.49588874 1.0661293 1.683185 0.49450365 -0.49604586 0.90348876 1.6693999 -0.16516902 -2.0333157 1.3746763 -2.5151355 -1.8436269 -2.0180998 -1.9691582 -0.2451972 2.1695023 1.4058877 -1.0280358 0.4165573 -1.2819201 1.603488 -0.6102527 0.76401746 0.22363025 1.1409765 -2.5176792 -1.7766972 -1.224253 0.21680099 -2.1375034 1.6565893 2.6297724 4.058175 0.018569767 -0.17718391 1.4089633 2.9506288 -0.91311306 0.6490921 2.373074 0.018164558 2.5177112 -1.6364793 -2.4030743 0.5232927 -0.24374542 -0.6085863 -1.0311148 0.6209092 -0.2117053 0.4113475 -0.8053188 0.9062336 -0.5505264 -0.38848177 -1.5816646 -0.34313786 1.4300647 -0.9905254 2.919104 -1.3923274 0.3389695 1.6762526 -0.7709367 -1.1125809 -2.3163157 -1.5376449 2.5268724 -2.6429286 2.4775622 0.6606809 2.0038292 2.9572296 2.2546809 0.31830296 -4.1489186 -0.09161786 2.2166548 -2.9552534 4.3551 0.82598543 1.4941168 2.4848988 4.258924 -0.7096321 -2.4397798 1.6143707 4.421108 0.952232 0.093820244 -1.1941363 4.655309 4.7444515 -1.211831 -0.61834145 0.30967104 2.7958093 3.1231518 -3.4672382 -1.662913 2.97682 -5.305682 1.5142783 2.3624916 1.0006697 -5.2995205 -0.2769171 -1.3320496 -0.6301179 3.8223236 1.6329889 2.425072 -3.1915274 -0.95462525 1.2644095 -3.1674812 -2.1929514 2.2056303 -2.888121 2.5753477 1.5389035 0.4755636 0.41455173 -0.8128624 -0.04330633 2.198055 -1.5677056 0.9133559 -1.5467184 1.5493722 1.1812557 -1.394924 -1.8664603 2.822143 -0.682171 -0.40619257 -2.0124693 4.081283 -0.97730553 -1.2661287 1.2931353 0.40179735 0.21901935 5.9935584 2.3056946 -1.2433895 -1.5388803 -2.3182101 0.15748855 -1.8579738 -0.544342 0.5378373 -1.3397729 0.687452 -3.5084028 1.9502795 0.97871923 -1.195015 1.4799974 -0.004759595 -0.39612153 2.4989982 2.0440664 -0.15435901 3.326617 2.28414 1.0323344 1.7661248 1.4690372 -0.37820566 1.4175128 -0.963603 -0.9099422 0.18224013 -3.7031407 -1.9497098 0.16889542 -4.3508916 -1.401553 0.8402052 -2.837904 0.6305361 -2.189282 -1.4939852 2.5782228 -0.36350983 -2.0080528 0.6427945 1.061266 1.9972547 0.31881914 2.0686698 0.9820558 0.97002053 -2.1402683 -1.4947733 0.35110146 1.5625314 -1.4782574 1.7400447 0.52446353 -0.10019609 0.8500382 1.8811424 1.2573205 0.8378549 0.2921483 -1.6972768 0.20112017 1.9567305 -5.3542156 0.259681 -2.1099863 -0.08585173 -1.4642256 -2.375636 1.0268042 -1.0702295 0.62764895 0.8813589 0.52666837 0.7728343 1.1507844 -0.84269696 1.1678294 1.3967396 1.7254074 3.190944 -2.354495 1.6291218 0.14586003 -0.45239627 -1.338304 -0.8528057 -2.8971941 -2.0031033 0.5334726 2.8734076 -2.7904377 1.020709 0.27606162 1.2993779 -2.0114865 1.795347 0.57371026 1.9241383 -1.4134474 0.44604886 -2.0693653 0.23179226 0.8984904 -0.43912393 1.3006476 4-methylhistamine is an aralkylamino compound that is histamine bearing a methyl substituent at the 5 position on the ring. It has a role as a metabolite and a histamine agonist. It is a member of imidazoles and an aralkylamino compound. It derives from a histamine.
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44423076 -0.26878807 2.860404 -2.5074654 -2.0142744 -4.0509806 -0.75854033 0.09352359 3.8396492 -1.2421615 2.7951274 7.0168204 -5.174985 -0.029194728 4.879878 3.1263075 -4.888491 3.2193635 -1.1331725 -6.088763 3.1136198 -3.9930928 -5.5250783 -3.3228197 -2.7670615 -1.7576219 0.4490751 -1.8417822 6.1986775 -1.400917 -8.240556 -2.611768 -2.4929607 1.3119258 3.6502473 2.611312 2.9607325 1.424813 0.52427036 1.0575078 0.74525535 -2.7223628 3.5876489 4.925742 -4.5874925 -2.5994017 1.1188587 5.18369 -3.2814498 -1.7821279 -0.7092067 6.710909 -2.4878051 3.2752292 3.528262 0.81923723 2.588957 -2.7047348 -3.9016645 -3.1379635 0.628248 2.247883 -0.81923056 -1.8121331 3.0986102 -3.7801406 2.7246652 1.8344936 1.4931027 -2.1635332 0.3672204 -1.745838 0.8678609 -4.494493 -1.8985727 -1.7635529 -1.1263307 -2.9898043 3.4838457 3.2191896 4.882484 0.2640895 -3.3657136 0.32764655 2.2478328 -0.6341791 -1.7815348 -0.2937905 -2.2576325 4.85947 -1.5950162 -1.0775479 -4.2100935 -0.39117762 -0.0766726 0.48640043 3.1943784 3.1491563 0.038395435 -5.716201 -1.5081251 0.23013543 -6.173181 -2.3019743 -0.45590246 1.7628473 1.0817229 -0.16909118 -5.4198823 -0.93070525 4.5125003 -2.5673928 0.73251086 -3.437166 -3.2000372 4.049302 -0.56471443 3.2688239 -2.3272943 2.2768614 6.052045 0.9311589 -1.8176425 -2.5856414 0.40960297 3.7716691 -5.60165 4.9493933 3.9013143 1.0871757 2.3635297 3.9511456 -0.42815068 -6.3844185 1.2579291 4.1204257 3.71607 0.24575847 -2.2825036 5.024002 4.3969617 -0.79634 1.7408918 -0.19400011 2.219547 6.719875 -5.312676 -4.790264 4.011465 -1.5960544 -0.507176 3.4173255 -4.190001 -7.7371182 -0.35590887 -0.036817297 -0.73127514 1.9071509 0.77271587 1.0689263 -5.340175 -0.3258749 1.0306296 -2.4907079 -0.7672011 0.077278584 -4.4643984 9.411862 3.7527273 -6.558751 -0.69184804 2.0182927 0.82932216 2.7278519 1.6577232 1.46277 -2.7555044 1.0356466 1.9211802 -0.2988278 -0.7662065 3.3938482 0.470169 -4.866772 -2.0509574 0.5262588 0.13922459 -9.994122 5.229909 -0.40928566 1.3111147 8.139178 1.8708276 -0.34472337 -2.2363896 -0.40845764 -2.509761 4.2137594 0.16726258 0.70669985 -0.93742925 0.17202115 -4.6073155 2.2587113 5.304016 0.09099807 2.3008273 3.3744214 -2.154115 5.1847305 3.0923061 -1.5773987 4.935409 1.0332582 -0.73530185 5.909636 -0.25421298 -2.3048131 2.8601508 0.9820551 2.0866063 4.9607916 -6.817672 -5.664306 -2.1750016 -5.7087336 -0.39018726 3.8926802 -2.0917044 0.6472061 0.11274059 1.5761122 7.855328 0.59033674 -3.1670623 -0.19309023 -1.3516893 -0.7219619 -0.44639558 0.05415669 -2.679288 0.95746964 -3.8341732 -5.1064415 1.5918125 -3.601451 -3.5381808 4.3843584 3.4270978 -5.693811 -1.352089 1.7601489 3.6363914 4.493173 -0.023174882 -1.9979901 2.8853495 2.834422 -1.6813107 0.9494694 -5.8836474 -1.9669354 -0.1648367 -6.076005 1.9534938 -4.072219 -1.7079481 -0.9774693 1.1364261 3.145727 -0.104209915 1.2279359 -0.24986188 2.4543753 8.8906 6.1032 -4.5893254 3.5926576 5.4918537 -1.1805867 -1.9237444 -5.439959 -4.197687 -2.8588939 4.357338 3.5518398 -2.0562792 -1.4874883 1.6287256 3.5933444 2.4986274 5.805294 0.783632 6.3106318 -1.6616591 1.1590617 -4.5417347 1.075086 0.81641513 1.5453371 2.960423 Carboxylato-PTIO is a benzoate that is the conjugate base of carboxy-PTIO, obtained by deprotonation of the carboxy group. It is a member of benzoates and a radical anion. It is a conjugate acid of a carboxy-PTIO.
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72193651 -3.824166 8.8465 1.0420274 -5.335555 1.1487098 -23.055626 -10.340886 1.3526636 1.0222373 3.9138086 16.074848 -16.603388 0.6244793 21.885187 15.093898 -0.9029949 9.931786 -1.816184 -29.850126 14.43475 -6.4480066 -13.881648 0.5546817 -14.346405 -3.3442776 0.7333156 0.7294484 18.291592 -3.8254986 -5.764943 1.6322131 -2.6316023 7.8921595 9.043182 8.30113 5.886764 0.20273685 7.507314 3.4857645 -2.9753299 -7.0093575 5.520832 -2.781763 -11.868734 4.6846485 -5.6171455 11.39251 -6.0161753 3.0245607 17.692083 13.769474 -1.2226567 6.78906 6.4465785 4.237787 3.5449984 -11.759893 -1.1042645 -5.566835 -2.3810892 -5.659913 -6.365027 -5.2720633 6.9773827 -2.0512109 -2.8275948 3.0912268 2.5663476 -0.92109966 1.4681273 7.3188686 0.89256835 -5.7064385 5.146053 -5.3621216 -7.9217386 -20.462658 22.989862 13.2074375 13.929499 -1.9517156 -10.690112 -2.9520078 0.9420542 3.8417761 -3.3321877 -1.1844991 -4.8981805 20.083578 -8.112393 -2.724525 -12.246196 0.9378075 1.0563102 4.360609 -0.6904214 7.7557073 1.1105154 -8.428076 -0.41858116 5.5393476 -12.251836 -17.17691 -5.063411 9.949744 5.403457 -0.26669568 -9.406324 6.331863 -0.20441818 -9.203022 -1.5042336 -5.859558 -3.4753869 19.125525 -9.693531 0.5753908 2.68919 8.052208 13.069534 12.301943 -0.6958775 -10.7678175 -5.353723 15.690414 -21.503119 13.96778 14.174292 -13.106729 5.6197267 2.986231 2.3926113 -18.345428 5.10887 24.648582 11.8031845 -0.4733595 -9.3793 12.265246 17.245747 -8.192139 -1.6674732 -2.4387753 7.1713037 25.825264 -17.445543 -6.0316186 6.3952346 -13.27486 3.6429424 17.450415 -3.3035154 -25.806076 6.28218 -5.137414 10.20366 15.169478 4.5989146 9.025427 -15.428632 -13.448407 1.8536887 -3.9935217 -5.011579 18.215002 -5.894749 27.263933 12.113129 -6.914262 -7.13744 4.2301273 9.742669 13.305658 -3.5569496 3.511156 -0.43880746 12.980714 6.229982 -9.532034 3.522888 3.302694 -2.6608593 -18.723108 -6.3772664 7.9339447 -5.0233107 -9.071042 0.5361367 -1.2670672 2.4927633 9.822482 0.06936555 4.175016 2.828205 -8.437847 2.8693838 9.019091 -4.439694 0.012298629 -2.037094 4.750327 -12.150059 7.0481024 8.115785 1.6442245 -2.4509 -4.2559295 -2.3345284 8.748361 6.701145 -2.6096637 8.922581 -1.3639948 -3.1894078 5.262085 4.651789 -2.4917037 6.134128 2.4216523 -7.727617 4.266282 -11.531897 -11.2707 1.8351775 -10.83302 -4.760371 6.5273323 -2.7957122 3.4059906 -5.433871 7.457233 17.36017 4.4602823 -4.087594 -7.6208806 -0.3000059 0.20422079 1.2335906 -6.7824793 -6.83769 -0.81330127 -9.053467 -5.576095 -0.7401009 6.5717783 -0.5060062 3.1334038 -4.321994 -5.1076546 2.9278843 0.9321465 11.510878 3.9475212 4.0478516 -3.6704915 2.0136373 3.6161418 -14.464744 -0.9180404 -8.052613 -4.4522614 -11.342712 -7.6558237 5.3674016 -10.905536 -0.32658654 1.5884625 3.558969 2.806846 6.9090047 4.621751 -6.067258 0.4935022 17.149605 19.12503 2.4379895 6.2897363 7.1204205 8.201542 1.8844985 -13.627193 -11.062433 -9.134304 10.717193 13.092144 -9.6438465 7.1244717 -4.2559266 14.250956 3.6170382 2.2236068 0.22948253 17.478281 -4.0620155 6.2994585 -11.654919 2.2855618 -6.3180842 7.385424 9.016837 Malvidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside) is an anthocyanin cation that is malvidin substituted at position 3 by a 6-O-(trans-4 coumaryl)-beta-D-glucosyl residue It has a role as a metabolite. It is a beta-D-glucoside, an anthocyanin cation, a cinnamate ester, an aromatic ether and a polyphenol. It derives from a malvidin and a trans-4-coumaric acid.
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72715851 -1.6956706 3.8488562 1.7754191 -0.9165841 -1.1005856 -12.835506 -0.13581802 -1.8107777 8.3247385 3.9824717 1.4636968 -2.736444 -5.8806186 7.941849 4.4068418 -0.5388881 5.237988 -6.425678 -18.311142 10.173224 -4.50385 -11.89151 -7.85321 -3.0010123 -7.965342 0.20894983 0.8502879 7.9735436 1.0864258 -5.0653024 3.2707665 -1.4783052 1.4451708 7.8907094 13.204648 0.4142853 -4.421344 8.1406765 0.46303332 -1.5601201 -7.1333466 6.4575534 -0.7687815 -0.41418672 -0.6338656 -3.5889566 0.13518275 2.489069 0.8754844 14.756274 5.5017676 -5.4137526 7.4478655 0.96236 10.980669 0.67991805 -3.0412693 7.0596128 -4.607617 -1.889514 3.2244344 -4.8300533 0.37012342 7.7863774 -4.7772617 -1.8986359 3.8914626 3.766832 1.8527277 -5.4637995 -1.333397 3.252817 -10.03857 3.8504486 0.40987676 -5.0442595 -14.741596 9.4742155 0.20342226 4.4676595 -10.259333 -5.313645 -3.2399395 3.0134718 4.947818 -4.3706937 5.1276383 -0.8260975 8.537691 -2.88379 -2.4812002 1.7489346 1.1362092 3.7392645 -1.9009707 -1.5096954 6.244449 1.4207505 2.2843409 -4.923739 7.3028994 -2.677851 -9.6230955 -1.3792377 6.695527 4.7202454 -2.1425493 -4.724148 -0.7439986 6.6846833 -6.550455 2.7681518 0.90740186 -0.79640675 11.391412 -7.01085 -1.6503326 4.6088924 7.873861 3.8728426 6.249703 2.7393677 -7.287609 -2.4473119 6.852491 -16.897993 13.987397 4.62963 -10.130319 7.094434 1.0058552 3.6528442 -12.762151 14.812842 14.852933 3.2938251 4.099801 -0.31759864 11.89718 12.158011 -6.0052195 -0.7647767 -0.54121107 2.4935844 15.256821 -6.821419 -5.7749095 13.383044 -9.895138 1.8765496 4.791027 3.9421668 -8.23049 3.628334 -0.15636095 4.030114 13.142213 8.067049 15.184666 -4.572879 -16.326483 -0.04474956 -7.4001412 -0.2813901 3.8142633 -2.6969519 20.0938 8.66985 -11.470514 0.054914333 7.7977276 9.36718 5.124783 0.48418158 -2.7740366 -1.125051 10.951169 11.659578 -2.4446464 -2.0727553 -6.1744037 2.3169868 -6.8342333 0.5787319 1.6666445 -3.31892 -0.3099532 -4.6398 3.1833327 0.38978353 4.1712236 3.4538193 2.661502 3.2396586 2.1974475 4.641762 1.8602928 -0.90893924 2.6193044 3.4200625 0.6966511 -0.58837366 4.7625566 11.533986 4.596582 0.28451878 -0.54372406 0.99019253 -0.31334868 6.189104 1.1219965 -3.0267093 -6.252881 -3.978262 -4.120069 6.6840234 -0.6424612 0.59861284 2.3342288 -3.4583318 -0.62634903 -1.0310178 -1.0117563 7.2410126 -3.585476 -6.6267486 -7.226761 3.2262597 2.9776611 3.425581 1.1576207 2.3583436 1.5818582 -0.5331538 -0.88394463 2.283263 6.994007 -1.0409228 -10.44637 -5.713909 -2.2836564 0.19705679 -0.12514552 -1.5813156 4.870672 1.1853724 2.1116362 -4.464217 -2.1036875 -3.8385823 2.732509 2.1449666 -3.1346133 3.1467876 3.938788 6.387233 0.51598775 -10.426958 -3.3623421 2.9605663 -6.601227 -3.643541 -0.9895071 -1.2462934 1.3399417 -3.1976748 3.322927 3.8199804 7.615775 -1.3675025 1.0531689 -1.6797754 2.2816017 0.020274073 11.360568 6.4357443 -0.75214267 -4.679123 4.9610343 4.721249 -2.449938 -2.1378884 0.84455115 3.1118715 5.859477 -8.099496 -3.726683 -2.6833425 8.41019 0.77406096 3.7855463 -5.7839775 14.579731 -2.8100479 1.9576488 -12.780653 -3.3922348 -2.4500158 4.7195354 5.114889 Beta-D-Tyvp2Me-(1->3)-beta-D-GalpNAc-OMe is an amino disaccharide consisting of N-acetyl-beta-D-galactosamine having a 2-O-methyl-beta-D-tyvelosyl residue attached at the 3-position and with the anomeric hydroxy group replaced by methoxy. It has a role as an epitope. It is an amino disaccharide and a methyl glycoside.
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25564831 7.258686 4.5287 -0.1497843 -3.0405476 -7.1639953 -4.8309245 -3.8071027 -2.2357843 6.013067 10.4777 11.01899 -9.597462 -5.081964 15.704925 5.6108055 1.6676253 18.515131 -4.8754106 -11.789454 7.2264915 -3.8697367 -18.80187 -11.314813 1.9839519 -10.648025 4.9786325 -0.19504349 17.427685 -0.07264633 -10.393297 3.7459054 1.8022375 -2.6231446 8.630932 14.900961 -0.2844301 -2.567839 7.398367 -7.388856 0.17135972 -10.288007 7.693255 21.435818 -4.4483247 -3.6222527 -0.4889028 0.56163734 0.12152414 -4.377778 5.9354134 8.589592 -9.766074 6.210407 0.65040946 3.024299 13.964239 -0.56318676 13.740438 -1.4992418 -1.1706336 11.923171 -10.009098 -4.4944944 19.422445 -7.734946 -6.1903005 3.6668644 4.9340796 1.508327 -6.3424263 -7.82293 0.20493598 -12.221395 -2.7982297 7.2075887 -5.6854224 0.2881797 14.207825 5.0175133 6.960054 -4.7402406 -3.4604325 -1.8075191 10.272032 4.665148 -6.457963 3.0702212 -7.0543213 12.523097 -2.4043899 6.3102355 -1.7737592 -5.7880197 4.002946 -0.043491587 7.925565 1.0401753 5.308898 -10.092213 -5.765534 2.5289333 -13.799849 -7.1268435 2.5333743 6.907858 8.977969 -9.682149 -12.581924 -4.237197 12.022095 -11.448084 8.533167 4.116439 -1.73802 10.902403 -7.655412 0.343914 -2.3513975 8.275133 11.855143 4.2892146 6.4265165 -5.440343 -3.4166243 13.425896 -15.395151 10.967781 4.119052 -5.547815 10.409165 -0.16916434 2.714302 -14.791757 3.375398 13.556807 7.270818 3.9497347 2.6087294 15.607201 11.137491 -8.889631 0.9896384 2.744453 5.838208 4.4612107 -11.607065 -11.218035 6.886543 -4.850112 -0.2013085 -7.52631 -2.2331896 -9.557161 3.6458766 8.436196 -0.5986639 7.653241 7.3280945 11.684296 -6.2493906 -6.223509 2.6087391 -7.3841414 -2.820176 -16.228428 1.4173238 14.496664 3.9278748 -10.326527 -6.070694 5.01651 9.535753 0.9282351 0.9369453 -3.4991155 -3.4367223 -0.025234222 9.730867 -3.330453 2.9009516 -7.8780694 4.9303207 -11.464568 -0.010925442 7.6729903 0.61076987 -9.473602 2.2430058 2.6094072 0.6119889 11.565947 6.687359 6.358405 -8.856573 7.073908 1.5469787 10.489676 -2.3669245 3.1401525 3.4922829 3.5775955 4.8950067 7.158297 12.427341 4.3512964 5.2729087 9.590647 -1.5664587 5.070846 8.17136 1.973978 -0.8413984 -11.191646 -9.135276 5.0533667 1.9800476 0.098704845 -3.2204282 2.8095202 4.137417 7.231323 -6.321118 -8.135478 0.10499955 -0.6284148 -13.622139 -4.4063983 5.6617627 3.3227704 9.932252 -0.85253215 2.7373228 4.560689 -6.2461987 2.3733778 4.0594316 5.399055 -0.6506426 -5.7925453 -16.23668 -6.4416947 2.0465536 -7.498561 3.8280594 -7.7071915 -3.5890007 -1.587254 8.8387375 -5.8086605 -7.931471 1.9449799 2.469692 -4.8749146 1.3328968 1.9446058 12.576036 6.3068504 -6.375598 3.421635 -0.45109633 -12.673774 1.8133471 -8.036631 0.07369645 -4.483789 -7.466873 5.662225 -0.67135733 7.591057 -5.682049 2.0620375 -0.28563306 -5.0316896 15.227583 9.058962 -0.0016265512 -3.7945604 3.6516805 -3.076644 -6.9102545 -13.698263 -3.9076486 0.23008463 0.28405285 -0.6199753 -7.7508116 -14.870098 0.74289316 12.760518 5.7071023 8.957108 -4.362643 19.4895 6.367965 -7.2946916 -18.377457 1.2287494 -5.3834395 4.7632947 8.926177 Epi-maslinic acid is a pentacyclic triterpenoid that is 3alpha-hydroxy epimer of maslinic acid. Isolated from Prunella vulgaris and Isodon japonicus, it exhibits anti-inflammatory activity. It has a role as a metabolite and an anti-inflammatory agent. It is a dihydroxy monocarboxylic acid and a pentacyclic triterpenoid. It derives from a hydride of an oleanane.
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5284514 3.7099965 8.792767 -3.334805 -6.3771234 -1.7742923 -5.121011 -10.165177 5.574964 -7.697625 6.1279745 9.256527 -8.4130535 3.033055 8.620415 2.516722 -2.8874605 6.359862 2.3501925 -8.024251 4.181415 -3.992432 -0.09033116 -3.9294715 -10.165434 -1.5390699 -0.7989496 1.8590995 13.365723 -5.2461934 -5.186522 -0.751753 0.5486991 1.9337623 5.1008353 4.457337 3.7097554 4.8015766 2.5138512 -0.027112098 -0.7319656 -2.8699675 1.6655208 4.2720137 -3.7861612 -3.1282566 -0.5450149 7.477674 -6.1087694 -3.0144262 1.0808189 7.821113 0.24234606 1.8193723 2.7411597 -2.5797386 -0.083659105 -4.762927 -3.4377503 -3.7415361 -0.7209613 2.6690958 -2.2135541 -1.8614151 4.8562703 -2.518773 3.4302852 -1.7866181 0.084032804 1.9709179 0.47596222 2.1104114 2.6450746 -4.4941254 -1.0279169 -2.7042594 -1.7282915 -5.1472683 9.192438 7.8139143 7.6379795 -1.531198 -5.1106772 1.5916601 2.879704 -0.31237635 -3.755181 -1.649235 -2.1561375 9.879369 -4.40508 -2.396456 -6.2968082 0.8761773 2.7299266 -1.5426662 2.8867006 -1.684618 -2.1580462 -7.92009 1.6815659 -1.1588516 -7.3925614 -7.301324 -2.993377 2.3468778 2.6708386 -1.7908614 -4.974516 1.24904 3.1803012 -1.589582 -2.5772119 -6.435341 -4.5230365 7.9252977 -5.515158 2.4683578 4.163965 2.4710925 8.940554 1.7051854 -2.227255 -1.5074333 -0.74494684 8.116567 -8.367432 8.485724 6.807201 0.18181267 4.1294847 4.9767947 0.2811791 -12.560575 4.605587 7.7411647 2.0842829 -1.6312342 -3.510105 4.7338543 6.483222 -2.3187256 0.34351027 0.5179694 5.080841 7.7154846 -9.673431 -4.865178 5.827356 -6.9999022 2.5769186 4.414188 -4.7463384 -9.938563 2.291836 -0.12503499 -1.5614849 1.5261426 2.7168505 4.864319 -8.003562 -3.5314276 -1.0563573 -5.389249 -4.509575 3.053808 -4.600054 10.622192 7.1897254 -2.1858957 -2.8794684 -1.9885973 -1.032015 5.8873324 -0.07014437 0.3484427 -1.732253 3.528338 1.0956438 -5.9147944 0.111646205 8.787657 -1.3088058 -6.474482 -1.0200999 5.0670304 0.38640207 -6.0157537 1.9470203 -3.812422 1.0495638 9.52893 -0.21069933 2.2482548 -2.6606247 -4.7261815 -0.5239387 4.089662 -2.1853712 1.1539521 1.0082558 3.1373482 -6.6036806 1.2290773 3.7937007 0.9574059 2.523788 3.5272808 -4.391298 6.9379687 4.075539 -0.441481 6.390393 3.7571487 1.356001 7.8080373 0.5237622 -0.12587509 -2.230341 -0.38503522 -1.6160158 4.6185513 -6.335469 -9.569693 -4.112508 -8.217562 2.2250915 3.8070982 -2.494429 1.3921634 -0.5086527 0.12153204 6.819357 2.0022829 -3.8753986 -0.94408375 0.77824765 -2.6379192 -0.49305645 0.37984672 -3.4802535 -0.8792644 -5.8739347 -5.189602 -0.62577015 -4.6550555 -1.6152552 2.7940812 2.1631627 -6.079392 3.8265471 5.047816 6.733895 5.764374 -0.979113 -4.6417627 0.5306462 5.75586 -4.558936 -0.24063396 -9.627688 -3.1419058 -3.374607 -7.509736 3.4991775 -7.6823916 0.8270262 -0.568475 0.17478147 2.0658195 4.97241 -0.7950913 -0.76680547 1.4484217 7.5311375 8.243716 -5.2675605 0.2968856 3.527168 -3.2174454 -1.6113217 -10.572051 -2.957268 -5.0610495 4.947865 1.095942 -3.2586536 3.673054 -1.8521279 4.3125753 0.90416175 2.0833127 0.39769495 5.8749175 -1.6283079 0.3276962 -5.8723145 1.9127332 1.6794407 0.3704064 5.4530315 Acrivastine is a member of the class of pyridines that is (pyridin-2-yl)acrylic acid substituted at position 6 by a [(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl group. It is a non-sedating antihistamine used for treatment of hayfever, urticaria, and rhinitis. It has a role as a H1-receptor antagonist. It is an alpha,beta-unsaturated monocarboxylic acid, a member of pyridines, a N-alkylpyrrolidine and an olefinic compound.
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11124828 3.6264439 14.487241 3.7091348 -6.1694427 0.58742756 -16.92463 -2.590114 4.5151258 0.6154006 7.25764 8.540445 -9.295098 -2.178416 3.9944372 1.8080375 -3.0613842 5.783543 2.7170267 -23.725266 7.3705535 -7.4914536 -10.649091 -4.563768 -12.841831 -10.528358 7.3413677 2.4842396 13.073553 -4.7414975 -8.828763 0.9574845 -4.8669887 -1.5442723 10.413843 19.889523 6.4652634 -3.117974 16.174524 -0.9069427 5.274406 -7.0376925 -6.06511 -4.379209 -4.569334 -12.702693 2.6526263 -0.9204612 6.310169 -2.6975937 14.974654 13.306943 3.8730938 11.499583 5.599171 12.806883 -6.8361998 -1.5006173 4.520917 -3.2095084 -6.2808228 2.5757115 -15.109403 3.2280834 16.93086 0.8012853 1.1021087 3.2276537 0.197748 4.877331 -7.700561 2.5697446 2.1057491 -11.489023 7.153828 -1.3596585 0.41827536 -11.662059 13.744683 3.5718536 4.245644 -9.158067 -5.2424088 -0.57835597 9.391106 2.7659779 -1.5692295 8.460478 4.546986 16.687809 -9.619021 1.5868084 2.3880677 7.199296 -0.99376065 -1.7264491 -1.5364448 8.008722 0.6040036 6.201052 3.5265849 10.775727 4.148652 -12.710842 -2.4735806 -3.6827283 4.987609 0.47769487 2.4836266 5.2197843 10.535426 -9.336232 4.0593524 -8.412307 -3.2617316 7.6241097 -3.1626709 -7.3092427 7.870538 11.944233 11.806133 17.443047 3.0019536 -10.717608 -1.7922297 8.404791 -25.012905 16.449717 17.511747 -8.475916 14.537762 11.126198 -3.6924226 -10.353692 10.543055 20.739298 -1.8257469 7.2395167 -0.121669784 20.842417 9.349172 -8.340353 0.43125865 1.9634552 5.980963 21.923546 -19.19678 -7.5021286 18.80301 -15.70895 2.2138114 8.205802 1.5944579 -15.71256 4.1061196 -4.0641065 6.614141 14.907842 15.983492 24.768091 -6.1118345 -19.65675 5.270157 -9.728519 -6.4019713 11.084198 -1.4921097 20.475868 12.048123 -10.978299 6.21579 8.8130045 15.306032 3.6156929 0.637191 -2.753076 1.3047397 19.639568 9.821911 -9.7143 -8.474026 -4.7106943 2.2545528 -10.20322 0.8236208 8.6275215 1.609422 1.3057367 -4.0553975 5.6745825 6.09287 5.360797 16.68169 1.5115339 0.38564068 1.4753132 7.0972414 5.5442495 6.5092807 3.2999115 2.2852132 -4.7211013 -0.6915071 6.9773045 8.391769 6.246913 -4.477256 -0.5433949 -1.0119537 3.4471905 5.9908404 -1.7457049 0.5282136 1.7318006 -9.105259 -1.6265438 1.7219944 -4.699837 -2.1154866 13.560441 -7.3058186 -5.5554624 5.0347047 -5.487699 9.8699875 -19.388218 -3.2334344 -11.018886 1.5933931 -2.464903 6.3895855 4.6625333 4.7101517 -2.817181 -4.0598516 0.25144693 0.07043899 18.162273 -2.3340266 -11.830025 -5.9264545 -3.491589 -2.3951378 2.071173 -3.825726 8.802489 4.394759 -1.456224 -4.4276886 -3.4446337 8.437138 8.939081 1.5000974 -3.4975097 5.005731 6.529709 0.9169085 6.9742866 -14.515171 -9.941041 -0.63654 -0.1904738 -7.5407915 -0.5268952 -4.732742 7.190067 -0.7366334 6.942873 -3.9837656 11.596172 -4.9986687 -4.249269 -0.9527283 1.047481 -0.21768363 9.421342 21.260984 -4.3650513 -8.864534 10.990377 -0.8002079 -2.7269008 -1.0927308 -4.4437656 -1.2983366 13.725954 0.43488383 -0.063663885 -7.1730833 11.024124 7.23561 7.886017 -2.3798864 15.509008 -2.8975132 5.7580175 -11.676454 1.5607408 -0.997779 7.511355 6.067916 1-linoleoyl-sn-glycero-3-phospho-D-myo-inositol is a 1-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 1-acyl group is specified as linoleoyl. It derives from a linoleic acid. It is a conjugate acid of a 1-linoleoyl-sn-glycero-3-phospho-D-myo-inositol(1-).
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21575386 -8.744509 4.353139 -2.8638864 -1.9683347 -0.12048215 -15.068722 -14.091516 2.122559 -0.057724103 3.0514433 17.035357 -17.662876 -1.3191221 26.787615 13.581478 -4.5048614 7.913117 1.1853172 -24.22313 12.923528 -7.2449484 -4.644822 2.9024947 -10.236194 0.45836538 -2.040109 -4.3402944 16.504038 -6.9624763 -3.8857539 1.1581327 -3.1348517 7.7964354 8.8481245 0.590091 7.674431 0.052968554 5.520036 2.2180514 -5.4677854 0.20294577 6.095405 -2.591849 -11.209087 4.782366 -8.547444 16.59005 -11.572031 3.396794 9.218655 11.661657 -3.6551166 7.817291 9.268912 -3.4284337 2.8242326 -10.656256 -8.752958 -9.702736 -4.6298165 -6.2803454 -2.5923011 -7.173838 4.6810904 -2.7009406 -3.9524815 1.7664152 3.269082 0.676352 6.4800215 5.1043773 -2.9340367 -0.6123624 2.295438 -6.3984294 -5.7361097 -15.02227 21.647547 16.51376 17.357338 1.0551648 -9.867626 -0.6078685 0.38355717 1.4670662 -1.4649767 -5.702476 -4.478189 19.229736 -6.188924 -5.1237035 -10.754953 -0.09790002 -0.29921514 5.288188 4.2219296 5.9815645 -0.71299875 -5.120091 2.0214128 -5.0992107 -12.298872 -12.929934 -2.7325969 5.965744 4.3493037 2.355024 -14.77794 5.1742144 2.3669844 -10.657002 -3.200982 -7.018405 -3.203871 15.7734165 -4.270031 3.737383 -0.59261954 3.702755 12.419464 11.090892 -1.0838115 -9.454016 -4.1755624 14.919708 -14.877472 12.876454 8.497754 -7.6663013 5.4527493 6.432409 1.8394246 -14.462351 3.2000854 17.910664 9.048568 0.14186719 -6.504821 4.143266 16.10136 -9.326616 -3.5913467 -4.558057 6.031928 19.412865 -9.535395 -3.9504216 2.7930467 -9.108905 2.4476995 16.355824 -6.4722185 -22.695648 3.463557 -5.192814 6.9280186 9.650891 -0.15122578 2.0722277 -13.241734 -7.1259503 -0.137972 -7.498176 -3.044087 17.921717 -9.484157 17.125391 9.742387 -6.800491 -6.0425463 4.2188854 2.5797107 11.840624 -4.682748 6.2481303 -2.7865522 8.631893 4.7861423 -7.510515 2.8005388 9.428811 0.85053116 -11.005012 -6.2765903 7.3978677 -4.2685957 -11.413551 7.6163845 0.8945457 2.8989806 8.519109 -3.9543855 3.124926 0.32371286 -10.06998 -3.3336978 5.282741 -5.8595595 -2.486158 -3.5187626 4.898018 -13.445295 5.653485 6.451897 1.1640812 4.1626253 -3.3298213 -2.8380947 10.384094 7.0732055 -6.507483 10.617073 -0.41986614 1.4838381 8.615893 2.5810778 -0.84799564 9.750784 -3.7555718 -4.184144 5.184586 -17.218239 -11.807595 -4.3746433 -10.402857 -4.678285 14.733825 -4.6239896 3.750686 -8.762115 5.979788 20.934488 2.886179 -4.745535 -6.040395 -0.34910846 -2.7456756 2.549899 -0.95706916 -3.3741944 2.6643977 -11.925733 -7.73892 -1.9686458 1.0946424 -1.542602 10.567244 -1.1565686 -7.1698327 1.8944399 1.0147212 9.538377 13.792726 -0.5038946 -9.556063 -1.5603108 2.4971738 -9.847959 3.2300832 -12.72716 -1.0880586 -9.67948 -8.795735 10.775537 -11.86008 -0.8145931 -6.4800262 2.9668078 -0.3571268 11.701404 7.1746755 -8.856792 1.8095366 19.507072 21.96041 -5.560795 9.1546 8.945002 5.845183 -3.8450203 -18.4459 -13.734202 -14.934965 14.399469 13.287253 -8.772558 10.586734 -1.6626878 13.147611 0.9415306 3.5663757 1.8337922 16.005636 -7.7297306 6.0287404 -5.3903475 -1.3821385 -2.1971269 5.411877 10.3488 Lamellarin alpha 20-sulfate(1-) is an organosulfate oxoanion that is the conjugate base of lamellarin alpha 20-hydrogen sulfate. It is a conjugate base of a lamellarin alpha 20-hydrogen sulfate.
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98037 1.5317072 3.246261 1.671312 -5.7661724 1.6044044 -3.7420793 -1.8220997 4.2069864 -4.239788 2.5415668 4.096936 -7.395093 -0.49840048 -2.2969434 -1.6063365 -2.5398884 -1.8797159 3.1629093 -7.223948 -0.083715044 -4.8259015 -3.2681081 0.01583758 -9.950277 -1.6061988 5.436503 0.55614686 5.413091 -4.0676255 -3.8340108 1.4884102 -3.9610794 -1.5575773 4.343414 5.248304 4.803475 -4.253411 10.526558 -2.3347242 4.991208 -2.1253932 -6.900615 -0.67053473 -1.5675434 -7.0284657 -0.05309739 -2.293397 3.2413406 -0.086533114 6.4782424 4.6584725 2.9796946 4.1272984 3.604681 3.2011118 -5.430912 2.2728808 -0.27495682 0.4058674 -2.7990966 -1.4938469 -8.987643 2.3431666 9.7798395 5.110387 0.15465567 -0.27793318 -1.5622032 1.3684152 -1.0440884 -0.71731853 -1.3392142 -3.0367653 4.608201 -1.8936205 0.573011 -0.088407636 4.9310303 0.9513137 0.8303553 -5.6970334 -1.1592635 0.9499615 5.0401354 2.0301964 -0.9116117 4.077471 2.638464 10.102707 -3.7653608 2.0293753 4.4371347 3.2555218 -1.5384727 1.3937579 -0.006698698 0.21253231 0.37652007 3.6967256 5.6938224 4.4590096 3.768554 -4.211659 -1.0943536 -5.626713 4.0219135 0.49174738 3.3818054 2.35999 6.485953 -3.77923 3.7564461 -5.6455927 -1.8140296 1.9014312 -1.6114084 -1.7597648 3.5333385 4.7472086 6.946851 8.333614 3.9213197 -6.388157 -0.5083529 2.0476458 -9.529307 4.7973456 8.015982 0.09350693 3.89742 8.477194 -4.574864 -3.4682324 3.4864743 5.448358 -2.1963494 3.1663907 2.467236 10.687327 -1.0545013 -6.3934836 0.81923306 0.45042565 3.9815164 8.897664 -11.14201 -3.8053732 8.147664 -5.953129 1.9684101 2.5379539 -0.08998415 -5.5988946 2.8113372 -3.9745686 2.6788626 5.096251 8.112673 10.770063 -0.22528674 -6.6959367 1.1438142 -4.35761 -5.6509013 5.950536 1.2844098 5.5509686 5.902804 -3.2265637 5.8905587 3.0558567 7.2858086 -0.8299412 -0.023852453 -2.5239046 -0.28782803 10.497055 4.8654866 -9.57875 -10.636153 0.2521004 0.85707426 -4.1320205 1.4237859 5.612327 3.2502139 -0.9543306 0.6250247 4.6418495 6.824597 1.6545699 9.600039 -3.2070284 0.1685376 -0.32399246 1.575979 0.66059196 5.024781 3.7064018 1.2709587 -3.9952543 -0.7834168 2.785604 3.0600724 2.0303495 -6.266366 -0.10942072 -0.31852013 -0.07115654 1.0845063 -2.4669268 -0.5635084 3.4980533 -6.55771 -0.8708243 -0.39319515 -5.5135508 -1.0137968 6.4533052 -4.0199404 -2.7561092 4.0214677 -2.714571 4.2500095 -13.891715 1.0159807 -4.127299 0.9504462 -4.846141 5.7443056 -0.025036857 1.591985 -3.763085 -3.44006 1.0809954 -0.39937863 8.235565 0.7984098 -3.961847 0.5600188 -0.8825612 -2.8314931 3.1651986 -2.091792 4.390904 3.2430804 1.1618354 -2.2812967 -3.2170532 5.5101237 4.619394 -0.19256775 -0.9043974 2.1618574 1.1041905 -3.1554148 4.4694114 -5.87884 -5.3437304 -2.2492259 0.7481325 -4.2975097 0.031351686 -3.0979257 4.4792814 0.12859507 1.0422394 -5.3185577 6.26945 -2.4713328 -2.9521728 -3.2222893 -0.51390755 1.0909386 1.8662874 8.624544 -3.1311464 -3.7035096 5.719678 -3.0123947 -4.1303434 -0.9802514 -1.9703871 -1.6805714 7.3275194 2.1229 0.80031574 -0.056985423 5.1406064 4.0343156 5.651814 1.665926 5.5205545 -1.0909368 2.1380625 -7.5630083 3.5300903 -0.4694053 3.3428335 4.475346 1,2-hexadecanediol is a glycol that is hexadecane which is substituted by hydroxy groups at positions 1 and 2. It derives from a hydride of a hexadecane.
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5288783 11.047015 14.234437 -2.9334488 -2.82488 -6.331456 -6.811584 -9.671626 0.09613694 -4.059233 10.978575 8.783275 -7.4879365 0.0071095526 16.58838 2.4722855 0.7680249 13.266304 -0.8777676 -11.384577 8.582719 -8.908078 -6.8241644 -9.752505 -4.967251 -11.445894 3.4083145 4.089846 19.406855 -0.6827011 -4.3602123 1.5037172 1.4693543 -3.076408 7.759743 17.648907 -0.677068 0.2767573 1.5801346 -5.7537503 -0.067082286 -5.5641356 -1.4581878 12.959357 1.3105052 -4.196218 -3.5120182 3.2030256 -2.3456326 -3.6260464 3.6623466 9.453955 -1.941972 4.9446006 0.51616776 1.483448 5.6100736 0.0049720854 6.944992 0.45530546 -1.4961821 5.3910465 -7.815236 -4.8257093 11.972703 -1.5192341 -0.3943264 2.7455504 4.739515 2.6234965 -8.309267 -0.103643194 4.290725 -5.281159 -2.972478 4.0084443 -4.465412 -5.666465 15.350798 6.0977135 5.176431 -5.0313244 -2.3876328 1.0635256 11.2176075 3.2332313 -7.623554 1.8747296 -7.459902 17.155354 -9.0901 4.7446175 -3.5782704 -3.010621 2.0324783 -4.6626415 4.81448 -2.7853317 0.36933985 -6.191105 -0.9894385 4.670002 -9.968301 -10.550682 0.39203072 7.5261993 5.448626 -9.43446 -2.1470165 -3.6838305 7.547673 -9.456956 2.1193678 1.7274766 -2.9556737 6.018756 -7.874927 -6.2176404 -0.3542848 9.966659 10.888494 4.8868265 2.7040725 -2.957304 -1.5819758 8.647962 -13.138834 12.083067 5.75066 -6.6112313 7.677163 5.0059967 0.20204206 -11.762317 0.9529172 11.8976755 -0.791831 5.709479 3.0139587 8.392554 8.041926 -3.9824452 0.38970223 4.145436 8.565371 3.5969756 -4.6290374 -7.9967093 9.018219 -5.6902404 -1.458082 -4.048028 -3.3667266 -9.926653 5.390522 5.2190742 -6.0022483 3.1222196 6.9198074 7.096813 -5.945264 -6.7023687 5.13568 -4.886323 -5.181624 -9.189804 -1.3920797 10.331875 2.375408 -1.1633438 -2.5706801 -5.7828093 6.4858713 0.78252035 0.07518245 -3.3135421 -1.1731379 0.2551845 7.415668 -0.85726047 4.366646 -1.066816 5.4216843 -8.495899 -1.2966039 5.466478 -1.1498977 -3.485002 -3.7575336 3.9424796 3.6685884 9.218119 9.118866 6.6044397 -7.3324037 1.0914854 5.933649 8.299903 -1.5468911 4.67826 6.0229445 8.074278 0.571985 6.015138 5.8193536 5.827878 4.2402053 2.0205977 -6.353248 4.406858 3.0284426 3.619813 -0.25653797 -2.5508926 -5.2362814 2.5436852 2.945029 3.0551531 -8.321618 -0.5029682 -0.43923935 5.4259152 -4.3951445 -1.8805865 1.1614726 -3.3028457 -6.4554095 -6.8521557 -1.9478235 -2.0119352 7.3444977 0.63252616 -1.6081793 9.793586 -0.5625065 4.1604495 -0.12523982 4.026183 -0.2772581 -2.0611832 -12.409642 -8.213729 -7.082418 -5.1403017 -0.43641064 -4.3747935 3.5921793 -1.8989048 2.9537282 -3.8404086 -2.875964 5.473416 4.4191146 -0.6994842 5.2112045 2.874255 6.228378 9.204895 -5.03148 -3.2347693 -0.13150285 -5.9257846 1.4880137 -7.132004 -2.0592434 -9.424883 -1.852508 6.392129 -1.6993985 6.7407804 1.8359227 -3.5941505 -2.2575862 -5.186524 7.306772 4.443039 1.0931027 -0.17181285 0.9940125 -0.6303334 -8.909563 -13.259041 -0.6487627 -1.3454707 2.2972865 1.5291393 -6.545482 -13.541669 -3.492151 10.856689 6.409382 -0.2928695 -1.1796974 12.611585 1.4585581 -2.1785753 -11.539846 2.4661531 -3.7065082 -0.88666767 5.2854853 Calcipotriol is a seco-cholestane that is 26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene carrying additional hydroxy substituents at positions 1, 3 and 24. It is used (as its hydrate) in combination with betamethasone dipropionate, a corticosteroid, for the topical treatment of plaque psoriasis in adult patients. It has a role as a drug allergen and an antipsoriatic. It is a member of cyclopropanes, a secondary alcohol, a triol, a hydroxy seco-steroid and a seco-cholestane.
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22815452 1.2806946 6.0149775 -2.759501 -5.7229347 -2.255292 -4.7949977 -5.9731483 3.04471 -3.677555 3.3161874 6.522782 -6.315723 2.169027 6.498468 2.5866256 -4.2460365 3.163474 -1.498675 -10.223548 5.4057302 -3.0829897 -3.8520486 -1.1453232 -4.2378316 -1.2811769 -1.7775118 -0.24221498 7.2752833 -1.6887863 -8.304537 0.48853335 -0.63038975 -0.33879274 5.7953024 1.79602 5.4371343 0.64060634 5.7713113 -0.5237638 1.8884312 -0.95416987 4.439947 2.669757 -5.707158 -1.1540842 -2.8001907 5.8445845 -4.158824 0.10105093 4.3892493 7.5424423 -1.5195159 2.7709904 3.3876066 0.47990242 -0.63795996 -0.351067 -6.444845 -4.3205395 0.47817755 -1.8401332 -2.1977606 0.2773632 4.359606 -4.16902 3.441162 0.9095179 2.0960832 1.1124661 2.3354542 -0.48284024 2.9330478 -4.220322 0.06307162 -3.5965202 -1.8382415 -5.3585525 4.995768 5.5986423 8.165117 -0.6587381 -2.4605463 2.093666 1.8582038 0.28950208 -2.5875638 1.3138989 -0.12163688 6.8229218 -1.7096447 -3.6641772 -1.9808996 -0.37432313 3.1406922 0.21697521 3.368518 1.15074 1.4947298 -2.2377465 -0.7513211 -3.2301545 -7.3244395 -4.4712105 -2.7445047 1.9762821 0.48429197 -0.07420167 -7.931234 0.6483933 1.1571206 -2.545492 -3.2298307 -6.647211 -1.8766187 4.009205 -2.2196171 3.832832 3.0547373 -1.4065797 3.870762 2.443282 -0.28283823 -2.848529 -2.732975 5.5055547 -8.888205 7.0147614 3.2209392 1.3450948 2.9344628 7.775212 0.59553295 -8.433361 5.7655087 4.7859387 2.2207155 -1.2084367 -1.9862783 3.743564 5.6196156 -3.258853 -0.8740393 -5.104044 1.2307386 9.289842 -8.41252 -0.2049105 3.0373166 -5.037682 0.58432126 4.992372 -3.528983 -10.886154 3.0281818 -0.31850055 -1.8959644 2.9431841 1.3866061 1.7690387 -7.220437 -4.024008 -0.7792397 -4.476216 -3.5672646 3.4547038 -3.1480825 9.859979 7.999746 -5.468965 -0.78503656 0.56640553 0.8478775 5.6418204 2.4540052 1.1716987 -4.819279 6.620458 5.3913393 -5.5399747 -2.4378428 7.036415 0.9196897 -4.824833 0.71944124 1.4019611 0.7314067 -8.003134 5.99633 -1.5593606 1.6481328 4.934716 -0.1870889 -0.10578495 -2.981023 -2.6478863 -4.858944 3.5401173 -0.1858494 -0.8278006 0.5433907 -2.0767784 -6.158723 0.8038508 5.2751255 -0.26751602 0.23278749 2.2846937 0.35012886 5.588013 5.1149445 -1.0990226 4.459786 1.9632927 1.0725925 3.0591161 1.6414958 -3.2664518 4.578791 0.4928889 -2.269191 0.60263497 -5.501141 -6.331436 -1.3780589 -8.099246 0.60129577 7.7034655 -0.12105428 -0.5094647 -2.6890557 5.48127 9.717376 -1.0037572 -3.6932945 -0.9835448 1.3647666 -2.979819 0.7157804 0.12382392 -1.2303 1.4134656 -1.4452362 -2.840167 -0.09713858 -2.4828742 -4.267003 2.2212987 1.049784 -6.302363 1.3840094 1.0063411 3.9212055 3.6005192 -2.370447 -3.003438 0.53808427 1.7546219 -1.7180136 1.0726413 -4.554026 0.12890156 -1.8468893 -3.0921676 3.7554617 -4.2885685 1.0948178 -3.139612 -0.12603308 -0.9110432 4.3513136 0.7843332 -2.7858937 2.5057716 4.8412027 8.616833 -6.740671 2.8865728 3.7741985 0.9293065 -0.9252068 -9.389583 -4.367712 -4.3436146 7.3128147 3.5582438 -1.9384404 5.054332 -0.4656307 4.6463985 -0.22900978 3.3799765 1.7640833 7.1759357 -5.1906834 -0.3112108 -7.2653756 0.30785364 2.0061796 -0.37002814 5.3378015 (S)-furalaxyl is a methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate that has S configuration. It is a methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate and a L-alanine derivative. It is an enantiomer of a (R)-furalaxyl.
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91666407 3.5345047 9.843754 3.318258 -8.247495 3.024538 -7.603106 -2.5041058 7.51736 -4.3177476 6.1117387 8.529311 -8.256049 1.6193959 -2.4772933 -0.26020843 -4.960751 1.3766372 5.370915 -14.380893 3.348586 -7.6560225 -7.081201 -2.9581156 -14.765066 -5.742425 8.025879 2.487721 10.879647 -7.250949 -8.325705 0.44414237 -5.5605073 -2.1587112 8.279543 11.184065 7.897077 -3.168927 16.730938 -3.1512377 6.138131 -3.4563398 -8.022686 -2.361689 -4.4836135 -12.616396 1.5208577 -0.5976551 3.592852 -1.6591759 7.8558607 9.965708 4.028069 7.868657 6.2925596 6.8180737 -8.674975 1.8523235 0.08728349 -1.0800539 -6.7751184 -0.3627269 -11.541824 4.9331384 14.775029 4.823161 0.22272062 1.894864 -2.8519728 5.032503 -1.6443881 0.7010033 0.9468814 -7.8896413 6.691561 -2.5189033 1.9818046 -4.3133683 7.88258 2.7332075 2.6960702 -8.255588 -3.2097595 0.2567516 7.140641 1.8794599 -1.2354356 5.185943 4.7168813 15.745238 -7.296459 1.2839206 5.6888843 7.2211566 -0.69162124 -0.7450376 -0.3855796 4.0294175 -1.4710791 6.067761 7.0617046 7.8254533 6.609031 -7.3432965 -2.0637467 -8.241447 3.8491957 1.0445074 1.3742626 4.7250347 11.98228 -8.064293 2.7927446 -10.837669 -1.8346963 4.076188 -0.74614537 -4.8453755 4.4547925 6.065253 10.694337 13.86616 3.7985716 -9.790148 -0.10353659 5.9341106 -17.906677 11.454149 13.671034 -1.3308332 11.119855 13.26393 -6.173706 -6.911684 7.4151545 11.486091 -3.8068008 4.838678 2.6703198 18.577904 2.7971785 -6.5836735 0.28255674 0.48382908 7.509101 14.893867 -18.86176 -4.4966073 15.629976 -12.399216 2.6196005 5.1467094 0.14468437 -10.492361 3.649379 -5.878353 4.745637 9.309348 14.309568 18.56649 -3.7972164 -13.527218 1.9829028 -9.177424 -7.6330876 10.716569 -1.2604848 10.331879 9.644237 -8.341598 7.665723 5.3177004 10.971226 1.1883235 -0.3598648 -3.4901593 -1.5563451 18.239923 7.6828837 -11.204436 -13.195085 0.67441493 1.1511291 -6.4253845 2.042293 9.488772 5.532136 -0.3508852 -0.13982978 5.520455 8.049612 3.886534 15.762453 -2.1028616 -1.2880783 -0.7670802 3.6854482 3.6388984 6.1542788 3.2939086 1.2128997 -8.097062 -2.03628 6.2363057 6.534387 2.9693692 -6.818517 -0.06628132 -0.39825314 1.4507308 3.540912 -3.1021638 -0.30536696 4.351224 -9.5072 -0.12673795 0.1255836 -7.255234 -0.6752206 11.819168 -4.1035633 -4.339585 7.218917 -5.649377 6.979599 -19.817446 0.6121689 -6.9211698 2.3795655 -5.381861 6.4517603 0.8532282 3.9596493 -6.46316 -5.9357123 1.3045173 -0.22755033 13.542584 -0.67950755 -6.557685 -1.5396855 0.6958138 -1.8637633 4.110328 -4.680321 7.091934 3.1290016 0.4070561 -3.7678883 -3.447044 9.72888 8.933093 0.3655403 0.76203495 1.9646857 1.0399572 -3.7602851 7.9141817 -10.678404 -7.394168 -4.278948 2.1806002 -7.7791376 -1.466954 -4.8655367 7.9058366 -0.77687216 3.6837823 -4.8078156 9.485723 -5.879616 -4.6176395 -1.5327247 2.508443 -0.7781526 5.5412765 14.155678 -4.8313255 -8.094851 7.2929916 -3.1512625 -4.0933003 -0.55195296 -4.805095 -2.2383142 11.636863 1.6260678 1.9650145 -1.7518932 8.727748 4.4351473 9.642811 -0.25892806 7.887758 -2.0441928 4.8801045 -8.783535 2.7933376 1.8323957 5.5664697 6.7370677 N-oleoyl-sn-glycero-3-phosphoethanolamine is an N-acyl-sn-glycero-3-phosphoethanolamine in which the N-acyl group is specified as oleoyl (9Z-octadecenoyl). It derives from an oleic acid. It is a conjugate acid of a N-oleoyl-sn-glycero-3-phosphoethanolamine(1-).
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57399053 4.412708 8.481866 -3.2954304 -2.3407671 -5.8392167 -4.8735423 -5.5756273 0.41731876 2.2378292 6.4781694 4.8105693 -3.30226 -0.65122765 11.366972 0.93702483 -0.887123 9.617077 -1.5302358 -10.122628 3.890924 -0.8455262 -9.0806675 -7.668836 -0.3106722 -6.2362585 -1.2519408 1.9049444 10.466959 1.1612439 -3.8652818 2.0986552 -2.2792282 -1.3826625 5.3096857 8.849841 -0.59516734 -0.59874517 4.0990744 -2.6845067 -2.4431589 -3.1462731 4.396146 7.904438 -3.504188 -0.7735243 -4.9791384 0.8522994 -1.2144437 0.09736035 4.5784087 7.0925074 -4.9955297 3.7556937 2.010697 3.101587 4.1635656 -1.912793 2.3991761 -1.6671696 0.6995934 3.5650575 -2.5631714 -4.8379045 9.638205 -3.3345277 0.06309308 4.211356 3.9849155 1.6472911 -1.4127197 -0.35569286 1.6573703 -4.711397 -0.67806053 2.8321986 -1.9510075 -6.2763104 9.054865 5.238901 5.682058 -4.959712 -1.5229065 1.5666944 6.551017 1.2265667 -4.704401 2.353751 -4.4259653 9.340614 -4.920951 0.3141203 1.305974 -1.9190464 1.9835222 -4.994494 2.3495026 3.133051 1.3391949 -1.8073347 -2.9045231 3.3353357 -8.395171 -8.166744 -0.2883251 4.772332 3.6574612 -3.1401117 -5.4873943 -2.3913362 3.0556118 -3.5061457 1.284848 1.5854108 -1.897069 6.6277413 -4.5821447 -0.90330905 -0.52908003 5.764388 5.1969404 0.55330414 1.6422031 -2.3816533 -2.7691321 4.762522 -8.607141 7.6704073 1.3732241 -2.8916097 5.530415 2.4114313 1.0947864 -9.828312 3.4546204 10.951182 2.8075907 3.273933 2.6481607 6.730495 8.776455 -1.8938622 -2.4098625 -2.9876924 2.9196122 4.349721 -4.792331 -4.2919984 5.24488 -5.594432 -1.2429883 -1.0091002 -0.02523242 -9.877713 3.0167472 4.0290256 -2.4352565 5.910213 4.5209637 2.5424843 -5.0309052 -6.9149175 2.5975707 -3.2792015 -3.5573754 -4.8339276 -0.83078074 10.184473 5.5514426 -7.234012 -2.8212707 -0.10014729 5.090876 2.6488757 0.52651495 -2.6924481 -2.088696 2.4151974 6.842053 0.99580985 4.0916996 -1.5633724 2.0618353 -6.7897444 -1.2008816 0.51597744 -2.9291532 -5.914388 1.7337444 3.0483787 0.081661016 3.836956 4.6859965 1.6182457 -1.5882506 0.6452507 0.5597438 5.6187253 -1.4291577 2.246316 4.974044 0.97953475 -2.9090672 2.0200293 7.094349 2.5408792 1.4202255 2.831675 -2.6625886 4.2136855 3.8007708 2.7535505 0.16931942 -2.025991 -5.495905 0.6745166 2.558355 1.2829432 -2.0062275 1.4901335 1.2854753 1.3510894 -2.9005475 -2.4364212 2.842895 -3.6792564 -3.9383447 -1.472063 -0.74658126 0.538514 2.5919442 2.832055 1.2167066 4.8941255 -1.5950674 1.3615259 2.1238759 2.0544972 -0.46466267 -2.6021848 -6.5975294 -2.6538377 -2.3794005 -4.982322 -0.26025844 -1.2902582 -2.7891183 0.48920524 1.5586413 -2.0884671 -5.328045 2.947363 3.098537 -2.7048533 2.0956893 1.9147135 3.5721328 3.433833 -3.84763 0.60952294 0.35293978 -3.9709303 -1.32695 -2.688382 -2.9383538 -6.4776483 -1.075402 2.0912411 -0.62166655 2.8348932 -0.19784008 -0.5351597 -1.9559342 -1.2676718 7.018895 3.1232972 -2.086594 0.44153047 2.087118 0.34091187 -3.1254172 -11.442721 -2.632449 -1.8866729 3.444385 0.7312031 -5.850466 -7.1982794 -1.2688384 7.2695217 3.0749006 1.4072398 -1.8882704 11.039534 1.3042034 -1.6510379 -10.324705 3.8583317 -3.2620955 0.41981557 6.45944 Inuchinenolide B is a sesquiterpene lactone that is 3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one substituted by a hydroxy group at position 5, methyl groups at positions 5 and 8, an acetyloxy group at position 7 and a methylidene group at position 3. It has been isolated from the aerial parts of Inula hupehensis. It has a role as a metabolite, an anti-inflammatory agent and a plant metabolite. It is a gamma-lactone, an acetate ester, an organic heterotricyclic compound, a tertiary alcohol and a sesquiterpene lactone.
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45266579 8.234553 19.59921 7.2294235 -9.078452 5.2163424 -25.904604 -3.7935371 17.464933 5.56082 13.80486 16.91477 -13.789403 -1.9154868 5.2666726 4.3918056 -12.658367 5.4964714 -0.8631685 -30.891996 12.240441 -22.68921 -20.785387 -19.840967 -18.11494 -16.483492 9.052025 5.832603 17.926756 -8.722052 -17.430199 -3.372858 -5.377672 3.045205 16.63826 18.437263 8.935007 4.101776 21.258444 -0.01465543 9.023122 -15.235167 -0.8291537 -2.7233453 -8.084079 -19.048733 2.351007 8.0884285 -0.48815182 -5.6873 7.682487 24.223286 -1.0280112 14.816201 12.344565 19.881313 -5.032141 3.84925 -3.2674575 -9.378672 -11.221045 6.305709 -12.348577 8.674058 12.543533 -3.9139166 -0.52237713 8.8977995 1.7716018 6.976287 1.5720679 2.211801 9.4489765 -20.78819 6.5236926 -3.7883253 0.9241825 -20.35805 6.151384 6.0748467 6.8449025 -9.196122 -14.292187 -2.6714683 7.267739 3.7548542 -2.890989 11.328634 11.095758 14.826759 -8.096714 -4.9373674 1.1461283 6.2671695 4.7804203 -9.053298 0.8761256 16.23615 -2.7967374 4.6235647 2.9035244 10.416005 7.7705255 -11.748917 -3.3153832 -5.3968296 -3.8693478 0.07327029 -4.4414625 8.6666975 22.561926 -18.777668 -4.9379683 -13.980872 -1.5527372 15.833738 0.77522403 -1.2067723 -0.2629594 13.636259 13.754927 21.147186 -4.250938 -25.53941 -2.1967814 11.3583145 -24.513023 29.775787 17.406496 -1.6098543 20.93146 14.355275 -1.1425443 -18.418468 19.092329 25.463902 2.6118832 8.258278 -0.83730054 30.13401 15.505596 -0.4534634 -6.284671 3.5129108 18.95582 28.333893 -24.79915 -4.2438636 27.065048 -21.61124 3.4048235 15.175714 2.2540712 -23.931734 0.09573709 -5.49252 5.2451706 19.978642 20.849237 24.25273 -11.008796 -17.336773 3.774982 -20.137947 -12.660642 9.732824 -14.741833 27.500967 12.793071 -20.455462 0.49600595 7.1550894 12.718631 12.005149 -6.554783 1.7578176 -7.3680778 25.490202 11.590922 0.65017486 -8.340496 4.392133 -1.0676674 -9.088899 -2.2792823 12.491763 0.6789789 -5.2308426 -1.6487769 3.3319988 1.53283 16.924974 15.348348 2.638362 -3.0313556 -10.310927 4.3444495 4.1716876 -1.6032591 -3.02016 -3.1343346 -13.039574 -11.405121 12.171013 19.42997 2.1506865 2.6804373 3.7725496 -1.3588198 13.937023 14.715893 1.8754114 2.3634164 0.21269321 2.105667 0.95895857 9.833773 -6.925868 4.760234 14.394832 0.6561921 -2.0913024 -5.6671515 -11.146448 8.812014 -19.050135 -10.200861 -3.17434 1.3894509 -1.2645842 -2.1743045 -1.3018153 13.441307 -8.0194235 -8.252616 2.7501707 2.1593845 20.692055 -5.7746353 -2.597021 -4.1939044 9.365878 0.29728484 -2.7097464 -7.7005424 13.771075 -2.9901016 3.4449239 -4.7740016 -4.21156 -0.85462064 16.634869 8.382984 4.716304 -0.21270059 -3.2614138 8.125153 7.3394237 -19.630472 -4.7276783 -6.370889 0.5209085 -11.11962 -1.465012 -3.8481255 7.144016 -3.046639 5.072967 3.4057841 10.936609 -8.286991 -1.5912907 7.6572347 18.146795 2.5092611 22.895857 5.717612 -0.5061455 -14.106003 -1.4757732 3.1250157 0.8826629 -6.229745 -8.873949 -1.3967152 14.569162 -8.651962 0.66154546 -8.451128 9.012221 -5.678183 21.00488 1.1870993 15.369051 -6.8632426 4.255535 -18.355583 -2.2540271 9.137014 8.526756 9.381252 3-oxopimeloyl-CoA(5-) is pentaanion of 3-oxopimeloyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions. It is a conjugate base of a 3-oxopimeloyl-CoA.
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9949088 3.737118 5.5734696 2.022283 -6.0561533 0.34079048 -3.1935565 -4.813491 3.5971367 -7.153026 5.4671474 8.268592 -6.452723 3.4800653 -1.3603458 -0.58925134 -4.139811 2.4769762 5.957473 -9.364361 -0.27084917 -2.4705863 -1.9302189 1.5200343 -10.405489 -3.3797534 5.060958 0.72949797 9.763634 -5.738024 -5.884001 0.66037 -5.183892 -2.5376732 4.975125 9.402732 5.6619325 -2.550833 11.500664 -1.2490059 6.0955386 -0.1588561 -8.079486 -0.9016032 -2.8749726 -8.676204 1.2283155 -1.2801373 2.732184 -1.0915564 5.2851224 7.3036137 4.0153084 6.202598 5.434538 2.7587175 -6.424669 0.4827202 -1.3578957 0.35490632 -3.4442267 -1.1561382 -9.714271 -0.15579477 12.328835 5.096618 1.4427558 0.31335062 -2.1347055 4.7865505 -4.302762 1.4330499 -2.301942 -5.095746 3.8891852 -1.7245336 2.0717604 -2.350385 7.53612 2.7060876 1.3020082 -5.3240905 -0.05763319 1.3465557 8.3655205 1.7224023 -0.2918616 1.0516365 1.7073601 11.885152 -7.431096 2.6904144 5.280472 6.659459 -1.7015524 -0.5078318 -1.2519249 1.5108634 -0.1420379 5.322639 5.3114 4.2606936 2.909364 -4.6695986 -0.6429162 -8.846982 5.7643495 1.4026289 -0.11179702 3.3922718 8.712837 -4.6773334 3.4561198 -9.698008 -2.972004 -0.42338887 1.3054255 -3.8823721 5.611773 6.044902 8.66649 12.061948 1.8381674 -1.0234528 -0.31666675 5.696321 -16.554817 7.9324317 11.037329 -0.72805774 8.957291 11.061444 -7.4272485 -4.3641376 4.3638678 7.431704 -2.1381216 3.645935 2.4067912 12.021143 2.9601834 -5.36969 1.2538301 0.16619945 3.9128609 9.122676 -14.989747 -4.309681 9.667269 -8.139185 0.9316982 0.5877724 -0.34691912 -7.951751 2.6120212 -4.0254774 2.723493 3.4770277 9.318885 14.545299 -2.4435685 -11.30101 3.559226 -4.242074 -6.291461 8.426994 0.78527755 4.218605 9.926549 -5.293241 6.9263244 4.0344644 8.806082 -1.2937247 2.8747082 -1.768696 0.6664427 12.356077 4.527918 -9.769699 -9.3395605 0.8388801 2.1997523 -4.373406 0.8099908 7.1637807 3.5634604 -2.8163145 0.19333695 4.0418015 7.386078 1.0545994 12.12536 -0.9260547 -0.6074272 1.4316003 2.150809 3.7734315 5.86341 5.174787 2.8862166 -4.140836 0.10505797 2.6017964 2.4117646 1.8290678 -5.7312174 0.4960319 -1.314502 0.8090596 0.5130478 -5.3326125 0.28451708 6.325719 -9.822448 2.2005937 -1.8741069 -3.1095672 -4.564971 7.3193536 -3.0943413 -3.6237774 8.08808 -6.301379 4.660802 -17.015741 3.7979636 -5.9784007 -0.6644264 -5.248537 5.0385866 2.947503 1.7522748 -2.9866612 -5.751966 1.6677527 1.5214605 11.08855 -1.554979 -5.9812346 -2.4428802 -1.4489757 -1.4154788 3.3829305 -2.015869 1.2888204 3.5252428 1.4006283 -0.74651027 -4.0496283 9.4001465 6.753361 -0.3487842 -0.97958404 1.0955173 3.0178235 -4.183385 7.560746 -5.1665835 -7.0394664 -5.174327 3.425615 -5.032187 -3.0581472 -4.958482 5.2928224 1.1741643 2.2365043 -5.1750383 7.2379384 -2.5509458 -4.6815987 -3.9330847 1.6302599 2.484034 -0.41462573 11.200894 -2.8789535 -1.8532891 7.7213326 -4.006616 -6.093805 2.241326 -3.6571274 -0.587428 7.91305 6.20186 2.4018247 -4.347041 6.459528 6.827021 6.689695 2.928625 6.016408 -0.75185704 4.9332128 -4.565433 4.1245294 0.46011305 1.8287392 3.878536 Propyl linoleate is a fatty acid ester resulting from the formal condensation of the carboxy group of linoleic acid with the hydroxy group of propanol. It has a role as a bacterial metabolite. It derives from a linoleic acid.
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5283144 2.034095 7.6362004 1.4288325 -5.110258 -2.8918264 -5.967177 -5.4490237 2.8089707 -8.245498 6.4508247 9.638639 -7.8843517 3.1461968 1.8876523 1.1634908 -3.0741174 3.0382035 4.2890453 -12.225142 2.4809766 -3.5421062 -3.674024 0.12443493 -10.077528 -4.9036937 6.2782536 2.4986129 10.374152 -5.496049 -7.6006727 -0.20620908 -5.748754 -3.1335633 5.7611628 10.933349 7.654935 -1.5534575 9.551846 -2.1111305 6.3652587 -0.16066165 -7.400461 -1.5917804 -1.9893192 -9.033626 2.7576523 -0.38319796 3.024161 -2.6194556 5.711449 7.6537147 5.0118017 6.8645935 6.5026608 3.2994578 -4.764043 0.34434894 1.4256582 0.17753324 -4.839523 0.08451575 -10.424904 1.0988023 12.060604 2.1442842 0.34313303 2.9332125 -0.4971391 3.2268565 -6.6547456 3.9892368 0.5008538 -5.2116346 2.230178 -1.7425615 2.7729619 -3.341944 7.5443296 3.9518538 1.8390671 -4.7155476 -0.9387094 2.7805045 9.3119135 2.6985497 -2.7717917 0.5868172 1.2421273 11.118649 -6.6411433 2.0941603 1.8206027 7.0187387 -1.6205795 -0.19720244 2.0050454 -0.4211845 0.96494794 0.9226006 3.3926878 4.5903645 1.2402554 -6.404789 -3.1883762 -5.8648067 3.4264321 -2.0811136 3.0395446 3.5469844 6.441353 -4.5967197 0.09020968 -11.004105 -4.8115673 -0.37091985 0.8038998 -6.43888 6.9238544 5.9885864 9.492489 10.893095 2.3276904 -0.053948533 1.0568198 6.652781 -14.606971 8.246194 13.297014 -5.038729 8.515586 10.140775 -4.914375 -4.9888396 2.459788 8.360527 -4.8113036 1.8787591 0.76216257 13.571459 2.434544 -4.075291 0.098037004 2.1706712 5.6188045 9.406614 -15.190011 -3.5252185 8.2957735 -7.4455485 0.06903372 -0.93454033 -2.1100607 -11.661444 3.3190217 -1.1049051 1.8938845 2.2540498 9.218149 14.044903 -2.9680233 -10.95931 5.063347 -1.601118 -6.099875 7.4863806 1.1341888 4.7445836 7.7708073 -2.92801 6.6825905 0.8404598 8.900938 0.094168395 1.691442 -2.0941572 2.5357382 13.010568 5.599149 -7.4232283 -7.8108177 0.1644232 1.041253 -6.4924936 1.6893592 7.891917 2.6776736 -3.2769284 -1.3300503 5.2331347 7.3829184 2.6362925 11.135689 0.31607968 -3.1544652 3.2239344 5.4296474 5.3686333 4.6969576 4.542242 1.2824944 -1.086926 2.5343678 3.2296243 0.35222608 4.0605316 -4.817294 -0.08762793 -3.7296305 3.1049843 -1.6996676 -0.7884 1.9154829 6.163262 -7.5672603 3.58172 -1.9497956 -1.7577436 -5.176424 7.626151 -4.6885724 -3.525137 8.044568 -4.6148233 5.0886164 -15.624365 3.8016083 -7.375272 0.54282343 -5.774085 6.373197 4.1410704 1.5366898 -1.9427139 -4.2180347 3.7837095 -1.68595 9.382106 -2.123889 -7.826865 -5.617222 -2.5049665 -1.8911828 1.9921377 -2.7863946 3.120967 3.803699 -2.4911766 -1.1516775 -4.654783 9.97476 9.066215 1.4768099 -1.0656272 4.2880287 2.8943095 -5.1990952 9.115795 -3.5361314 -8.103635 -3.9128976 4.7557526 -5.4734325 -3.3828757 -3.9137268 1.9679196 2.9870017 6.481783 -4.388084 8.574147 -3.941799 -3.5022151 -2.0303707 -1.6222146 1.8812859 1.3531846 12.353394 -2.4892163 -0.750327 6.340438 -4.2335324 -6.9686003 5.600909 -2.02635 1.1643032 8.925237 5.7237873 -0.17576009 -2.8857782 8.5461645 7.0023327 6.0642467 0.66386366 6.889522 -3.8075335 2.5335336 -3.80313 1.6110975 1.6382616 2.4259315 3.190384 (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoic acid is a DHET obtained by formal dihydroxylation across the 8,9-double bond of arachidonic acid. It has a role as a mouse metabolite. It is a DHET, a secondary allylic alcohol and a diol. It is a conjugate acid of a (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoate.
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135886621 0.3577894 7.4025965 -5.0258813 -2.5429478 -1.2055144 -3.329647 -5.57579 3.7781982 -2.1887977 1.2530534 4.9296913 -7.7251835 2.1236424 8.148168 1.8430302 -2.8205535 3.405568 2.4410305 -10.054582 5.002107 -3.4576232 -2.9729176 -2.1903698 -5.6723146 -1.2521992 0.25232401 -0.74502844 4.9608617 -3.1518092 -5.911621 -2.303651 -0.7093293 4.462823 7.152083 1.0523541 5.4487796 1.6190976 2.3311749 0.95906216 0.26300472 -2.3738334 -0.49735293 1.9607124 -4.0220566 -3.9935694 0.7907106 6.9864454 -4.8204327 -1.6106409 -0.07645075 5.719717 0.025895 3.8645742 5.25988 -1.7196616 0.7670033 -2.821347 -6.000635 -3.3193328 -1.6420455 -0.9609083 -1.4297278 -0.332552 4.097764 -2.9165409 1.4523776 0.4035551 2.9100945 -2.3888521 2.573146 3.163817 2.6554701 -2.4959893 -1.8683829 -2.1474364 -3.2562122 -3.8233783 6.0473537 9.41257 7.930568 1.6922817 -6.105061 1.7095842 3.4169958 -0.910435 -0.13633752 1.5538757 1.7578107 8.572217 -4.99196 -2.9096053 -3.665093 0.7124219 0.55032605 -1.1406518 4.2337 1.1724776 -1.678458 -3.8407452 1.596936 0.43936998 -5.809054 -7.69269 -2.1225922 2.2697475 0.60830426 1.2769784 -1.9710828 -0.6094636 4.402357 -2.747833 -2.4398463 -5.1727567 -4.0932703 3.2825015 -1.049853 2.3435702 0.4804603 0.03456062 6.9309983 2.6112082 -3.9840147 -6.995126 -1.4504112 4.7887206 -5.837585 7.5275254 4.695112 0.6056357 4.0029345 6.144764 -2.8250406 -8.71851 1.1527646 10.40541 1.4789436 1.3743473 -1.7265077 5.6041384 6.014947 -2.2205925 0.7843045 0.45952737 3.6958778 8.253111 -5.7985573 -5.3255763 6.0016546 -5.3456154 0.97002465 7.5187163 -2.670229 -11.220544 0.3148799 -2.372004 -1.1202831 6.555353 2.8096507 0.33649898 -6.0616975 -1.5276433 0.2606867 -8.098521 -1.0853152 4.4393115 -7.053423 11.962096 4.623904 -2.0586393 -1.3275182 -1.1932569 -1.6810044 7.8227434 -2.617943 3.1375039 -2.0021646 5.4539895 0.21984906 -3.4690392 2.7367942 5.0425076 -1.7135727 -5.14076 -3.1144738 4.294566 -0.8636569 -6.5422006 5.234939 -1.3303702 -0.23795 10.719342 2.4159694 0.21835011 -1.8829603 -4.6310787 -0.8641512 2.6969607 -1.9602402 -0.046921194 -2.1338115 2.0459795 -8.382599 2.076867 2.530713 0.31846753 1.6362318 0.533529 -4.2268887 5.488607 2.4431703 -0.34699517 9.4753 5.5979705 2.9185457 7.6870317 0.80704594 -3.2093728 2.772956 -0.5909207 -0.43630278 3.5782175 -9.476632 -4.7943964 -0.8636342 -8.512235 -1.0116491 6.358316 -6.2496066 1.4977216 -5.3162527 3.5744 6.823889 2.4365604 -2.9250534 -0.9524095 0.83567667 -0.015875041 1.8787471 1.3599858 0.14729808 2.1321568 -9.247429 -5.3073 1.452185 -1.0389035 -3.508864 6.116944 1.7195002 -4.062971 1.9060074 5.3989463 4.3905053 4.2339563 0.13018548 -3.2664526 -1.1222835 4.8880477 -3.5050833 0.073401004 -8.085567 1.1657562 -4.6804137 -6.026507 4.346763 -5.7993536 -0.13329527 0.17787868 0.25781354 2.0052147 3.2370028 0.98102224 0.1590203 2.5127046 8.68305 8.05239 -3.6050725 3.2966003 4.9432826 -1.943536 -3.3471792 -6.5368385 -5.942249 -3.331633 3.0461168 4.1128154 -2.3515434 1.8954198 0.41401356 3.5050402 -0.35898292 2.571737 0.8840299 6.368781 -3.964326 4.187922 -3.9696336 3.0914135 2.5025492 2.7295294 1.4923095 FX1 is a member of the class of oxindoles that is 5-chloro-oxindole in which the methylene hydrogens at position 3 have been replaced by an N-(2-carboxyethyl)rhodanin-5-ylidene group. It has a role as an antineoplastic agent. It is a member of oxindoles, an organochlorine compound, a thiazolidinone and a monocarboxylic acid. It derives from a 3-methyleneoxindole and a rhodanine.
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49859620 5.513175 3.0010252 -2.6362908 -1.5846839 -2.0784404 0.27117777 -6.3735414 0.07593873 0.28093672 5.125948 4.173307 -3.256152 0.56977487 11.050638 2.6716547 0.09714216 7.631402 -1.607854 -2.7103503 4.628053 -3.258582 -5.2664084 -6.497508 0.066843346 -4.0555835 1.1886435 -0.5108839 8.967553 -0.56832623 -3.8702254 1.3233212 0.86590374 -0.81898737 4.007021 5.612234 -0.39643696 0.7796454 3.103065 -4.1947465 -0.22767347 -4.0305657 2.679328 11.390356 -0.32139367 -0.39431304 -2.5872202 3.0323336 -3.1386917 -1.8328749 1.6937412 4.444903 -4.355206 2.6803527 -0.10570221 0.15282711 5.1612787 0.3153537 3.4426832 -1.1099708 0.4457286 4.748273 -3.9053714 -3.0392752 6.706663 -2.1751754 -2.0038574 -0.228692 2.440117 -0.52012837 -0.94657755 -1.83155 1.1106311 -2.2574604 -3.229239 3.1281407 -1.9336747 1.3120759 6.014036 4.278816 3.3851678 -1.5774035 -1.1381634 1.4347413 5.1961536 1.8911439 -4.0574536 1.9295362 -4.904811 8.868562 -3.8095896 0.7712054 -0.66366416 -2.4892335 1.1242045 -1.340263 3.8552704 -1.4533374 1.1763368 -4.9832087 -0.80580246 0.2885098 -8.167849 -4.222235 0.085720375 3.7139535 2.2148838 -3.354324 -5.632488 -1.9547892 3.4083242 -3.7951193 2.5488558 1.4292269 -0.38257676 3.9693723 -3.4924724 0.6520519 -2.2238436 4.1711645 4.8374553 1.6209521 1.7727962 -0.9307742 -0.5031262 5.953771 -7.065599 4.9861407 0.47284073 -0.9773122 5.644452 2.176643 2.1016686 -6.968791 0.03421846 6.117385 3.2994292 1.9491588 2.3370984 4.4364953 5.9576054 -2.6968486 -0.06072904 -0.3728864 2.4897785 -0.7326463 -3.7693849 -3.4579744 2.4605024 -3.6240003 0.517691 -3.5405276 -2.3869371 -4.2907414 1.5214057 2.5439718 -2.2961042 2.0629416 2.7538726 2.176821 -2.6413167 -2.4626725 0.35293308 -4.417456 -1.6997557 -5.5282526 -0.5787692 2.1119404 0.6610574 -1.76687 -2.9014862 -0.29158336 1.3652487 0.6591653 0.4814672 -0.9123697 -1.2984613 -2.9221992 3.9437084 0.04987765 2.917075 -0.007540092 3.4740717 -2.6422212 -1.0890641 3.4623647 -1.2400621 -4.190515 1.7363765 -0.4105705 1.4868151 4.8748837 1.9834092 1.969116 -3.772273 0.32625848 0.028644606 2.585071 -1.8437397 1.065969 2.1817548 3.1847007 -1.07574 3.5678277 4.742871 1.4737793 3.3072336 2.838551 -1.5098071 1.7309376 4.7287207 1.1064631 0.4585527 -3.2622204 -2.2929475 2.0666902 1.1449614 0.27010602 -1.8017621 -1.425044 0.051922172 4.3763304 -3.1353405 -2.7402418 -1.9064829 0.6339942 -5.724333 0.1832844 -0.8343821 0.81110144 1.5884862 -0.7096858 -0.5922592 4.789987 -4.3199716 2.8959684 3.4353049 0.6956024 0.68181634 1.1059371 -5.6746325 -3.0545661 -2.0535176 -3.4714627 1.3646656 -4.8472557 -1.5964642 1.122164 4.413826 -1.927694 -4.181987 -0.11629225 3.0526485 1.5033082 0.164289 -0.606276 4.3572044 4.494823 -2.8873985 2.1631174 -2.1254723 -5.3224454 1.5582012 -5.5984993 -0.6684127 -6.0625377 -3.9782617 1.1964995 -0.5955798 2.0224192 0.51691115 0.37752762 0.3400302 -2.0290399 6.923395 1.9872634 -5.6532393 -0.077419445 2.1034002 -1.7404009 -4.0291677 -8.013754 -2.0860174 -1.7760768 1.2465225 0.22326645 -5.472687 -5.7786207 0.71066207 3.5596838 1.9849851 1.802181 -0.020871408 7.2274623 2.4308248 -2.4984143 -7.8449817 1.2490723 -2.0488849 -1.1768484 4.777574 (S)-beta-macrocarpene is a sesquiterpene that is 1,1'-bi(cyclohexane)-1,3'-diene substituted at positions 4', 5, and 5 by methyl groups (the S- enantiomer). It is a cyclic hydrocarbon and a sesquiterpene.
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70679220 2.5116754 11.09954 5.2040706 -15.777607 3.769047 -19.469604 -4.577028 10.808721 -5.426458 6.4821496 9.356394 -20.932684 -3.7262414 -2.4276834 -2.0867891 -8.158805 -3.5811918 4.9060197 -27.858065 3.5784726 -15.99746 -14.709162 -5.360475 -28.072573 -9.127075 17.173937 3.0033135 17.470707 -10.511771 -13.728927 4.316047 -10.7525835 -1.3541303 15.866064 20.573505 12.198452 -13.240432 30.027983 -6.2277093 14.584359 -10.054086 -17.552769 -2.704821 -3.5590372 -21.0387 -1.0795021 -5.588702 10.420297 -1.5388451 23.524624 16.483475 6.40933 14.868588 10.197662 16.305708 -12.971946 3.9837198 2.6831582 -0.16229203 -7.390037 -3.157024 -25.637625 6.1819882 26.624947 8.707458 0.71325505 1.5722333 -0.07332677 2.7440286 -6.95868 -1.0138229 0.72236204 -13.169786 13.077134 -5.5229735 -2.119858 -8.840398 15.233285 1.3936211 5.481814 -17.810705 -6.821649 -1.1368418 14.807978 7.4449177 -3.9184935 12.623355 7.845946 27.835096 -12.027806 3.5828023 10.2086115 9.451239 -1.6422325 2.5710874 -1.532251 4.688447 2.88344 7.672595 15.107255 14.439308 9.794596 -15.019909 -2.3494246 -10.656979 9.620184 0.7034368 7.2623024 6.71398 18.505852 -12.519393 10.9381075 -13.767943 -4.013453 9.617407 -7.726224 -5.288324 10.229931 15.728211 22.658947 25.229347 11.007168 -20.850039 -1.2837881 8.554966 -34.586132 20.021776 25.57332 -3.5561674 13.470899 23.091145 -10.561766 -12.487417 14.376465 21.37689 -4.982881 9.592683 4.177541 33.078724 1.5586177 -17.735498 1.6684089 3.3887951 12.197745 30.789246 -32.525085 -13.149319 26.426289 -21.02912 3.2236092 10.557082 0.12921205 -17.516188 9.167114 -9.997488 8.754465 18.286104 23.879198 35.29613 -3.3094459 -25.03159 4.2141495 -14.475472 -16.421593 16.55477 2.583453 24.32907 18.865856 -11.391547 13.892239 9.304451 22.756525 0.08572056 -1.2083235 -7.369646 -2.4644427 31.913382 17.477251 -28.226364 -30.0397 -1.8138635 3.3088775 -13.567512 4.7522006 15.248274 7.8960795 -1.3524926 -1.6930873 12.555257 19.405228 8.523654 26.532076 -6.1444607 -0.42350352 -0.5537528 5.522026 1.2306616 15.192615 11.107434 2.8049877 -12.184765 -1.2059208 9.576856 12.757468 6.0148807 -16.582006 -0.025017694 1.4574375 0.57963926 3.8571067 -4.336753 -4.571524 4.9989443 -17.926975 -3.6097405 3.7709355 -15.812759 -1.3062165 18.72656 -10.626869 -7.7411704 9.194619 -8.910041 12.038621 -36.38625 -0.31006134 -13.809366 2.4685447 -12.954825 18.74452 -0.54139036 4.768184 -11.530826 -7.359064 2.5038378 -1.0625342 25.384329 2.0991693 -13.745736 0.13895164 -4.1612287 -7.19987 6.891256 -6.2631974 13.363478 9.04091 3.9721456 -9.313011 -8.934621 13.542722 13.273601 0.06587019 -4.2257543 8.939957 4.9996243 -2.884007 11.360726 -20.149445 -16.190323 -4.459996 0.8317887 -13.284279 -0.07132608 -7.2818246 11.812287 -1.644974 5.093033 -10.1766815 19.317883 -8.083456 -9.220524 -8.329533 -0.09682859 4.3888226 10.756509 27.604382 -7.972943 -10.644009 16.384398 -5.4286256 -9.980028 -3.2334626 -4.5350385 -3.577602 23.883324 4.0607 -1.8261518 -1.1124678 18.620693 12.818236 18.47588 2.8800802 20.716928 -4.0174756 6.687121 -22.16789 8.537482 -2.0848153 12.168452 12.073719 N-hexacosanoyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine is an N-acyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 26 carbons and 0 double bonds. It derives from a 15-methylhexadecaphytosphingosine.
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248153 3.0817065 2.7224846 -0.5264541 -1.5505087 -2.6037393 -0.5146812 -1.9951307 0.5242858 -1.6500859 2.9857082 2.979785 -3.1710982 -0.497395 1.9696724 -0.44257385 0.21897359 4.610044 0.17632753 -1.904203 1.679253 -1.1882657 -1.3769376 -3.817056 -0.3374265 -2.3988783 1.4050331 0.45864552 4.3602524 -0.59834707 -2.5045016 0.5247119 0.17688745 0.06762309 2.8735895 3.8937328 -0.48638496 -0.6721418 2.5741892 -0.12092762 1.4495887 -3.9730747 1.0010619 4.565111 -0.9891608 -1.0451491 1.3356633 0.38467985 -0.9127457 -3.1333015 0.9229982 2.1542833 -0.9700204 -0.80142534 0.6610609 0.049797505 4.010526 -0.24493124 3.1283457 -0.8973348 -0.4591397 3.9324236 -3.3033679 -1.1340032 5.1398396 -0.9351907 -0.36061665 0.17830962 2.0055778 1.0768363 -0.92160964 -0.39511678 0.35928503 -0.9103115 -0.9363974 1.9556935 -1.5482845 1.095579 4.6902437 1.336979 2.408229 -2.5279818 -2.6228309 -0.98974824 4.3363843 1.9873023 -3.001127 -0.24253604 -0.97710073 5.465969 -2.3386655 1.1815922 -0.33154917 -1.6827886 2.239697 -1.1972798 3.7776423 -1.9394809 -1.2248675 -2.5529068 0.40107656 0.71818334 -4.1494827 -3.6365476 -0.24886978 1.1592351 1.1915199 -2.850574 -2.1697297 -2.2450163 3.193771 -1.1251106 1.4385424 1.1581919 -0.24850476 3.5105255 -1.7796551 0.6478796 -0.5603407 1.0767097 3.5161283 -0.71046025 1.657842 -2.688635 -1.155506 2.1838877 -2.8456457 3.0985625 0.9702014 -0.10924362 2.5918007 0.25850052 1.281038 -5.5820413 2.167288 4.524226 1.3935118 1.850002 1.05085 4.920785 2.0303745 -0.644022 -0.33603567 0.8470447 2.772789 0.28873762 -3.0434682 -3.922379 3.6297266 0.28578007 1.4072356 -1.9451013 0.5705698 -2.7339826 0.80043954 0.22081417 0.4075845 2.6190808 2.07714 3.0659752 -1.4072897 -2.464026 -0.054667536 -3.60582 -2.1337037 -3.1244774 -2.4606922 5.316058 2.1345487 -1.5034834 -0.85791767 -1.4972221 0.8983655 1.438233 -0.68006736 -1.2674092 0.4858238 0.3800606 2.5007324 -2.411737 0.22782591 -0.30720222 -0.5946369 -4.5928173 1.6197758 3.3361762 0.15216553 -0.8576834 0.3669144 -0.9936194 0.8757111 4.1083293 3.2213435 2.7119167 -2.261863 -1.0214741 1.5387604 3.462896 -0.77738833 1.097815 0.9902103 0.52375007 1.180511 1.1606526 3.771064 1.4734948 0.9782549 2.3960242 0.3255049 0.21870768 3.7562342 1.2091962 -1.0285943 -1.301526 -2.3143897 3.8165858 -0.8291218 -0.9434484 -3.952574 1.1314521 2.4172482 2.1812623 -0.17377919 -1.8289286 -0.4400644 -1.2615132 -2.489936 -1.9363728 0.5073785 -0.7016337 1.9942681 -1.8756406 -1.6382991 0.60565877 -0.27740017 0.4166776 2.552599 0.77966285 0.044945344 -1.5767547 -3.6302488 -1.427996 -1.3506818 -3.8698354 1.4027644 -2.8121793 -1.9512732 0.60505366 1.669487 -2.4575899 -1.2486373 3.5642374 0.8233327 0.29593292 1.236492 -0.17847876 1.974812 2.2711143 -2.1416752 0.65345323 -2.547496 -3.2703333 -0.3022399 -1.9480537 0.48427767 -2.2462108 -1.3696235 0.97097737 -2.040078 2.9986906 -0.1368013 -0.052988917 0.7842726 -0.13686168 4.0503635 2.6675222 -0.79565364 -2.9327893 -0.99339044 -3.159504 -3.2115834 -4.1518993 -2.0267496 -1.2352164 -0.42003387 0.16883773 -3.3224323 -2.6475735 -1.1307727 3.1533492 1.3780158 2.5544162 -1.4482102 3.2835696 1.0636333 -1.4383632 -4.180641 0.6811644 -1.3054368 1.7058172 3.447767 (1-hydroxycyclohexyl)acetic acid is a 3-hydroxy monocarboxylic acid consisting of cyclohexane carrying carboxymethyl and hydroxy substituents both at the 1-position. It derives from an acetic acid.
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25246224 11.104557 32.631832 13.375192 -24.68913 -0.012429535 -48.57641 -4.4959235 20.966173 2.4972467 17.476429 20.542725 -30.704937 -12.988918 -3.1485772 -1.6704258 -14.4932785 4.3101244 3.2493758 -59.973877 22.950619 -34.130512 -45.398003 -21.61216 -42.49422 -23.07129 23.07854 11.528165 35.18861 -16.547497 -27.711037 5.9516106 -25.806192 -5.7745123 31.858702 44.32318 17.497639 -17.399973 56.004208 -9.6889515 21.617502 -30.154577 -8.360343 1.4457072 -7.519756 -34.83092 -0.96100026 -6.629407 17.479866 -11.01126 44.7516 39.57851 4.4003854 30.770203 19.106382 33.977654 -14.929702 5.163771 15.018469 -9.930243 -13.620811 10.784681 -43.424522 10.742658 50.3738 7.4972734 0.970538 14.301708 -1.1571251 13.289792 -14.671511 -1.2656076 4.890674 -37.13913 21.327497 -7.5130033 -2.9314437 -30.571865 32.70451 4.967759 14.342711 -38.85363 -22.725687 -5.462008 19.744022 16.473679 -14.699247 27.056707 18.59681 49.662964 -14.314778 4.558915 15.517444 8.683124 4.4799156 -6.0971193 3.4428282 22.83323 -2.6799827 9.895066 9.431911 33.893368 10.561255 -36.957993 -11.286414 -12.073151 14.120149 -4.0432334 2.1383474 9.557583 39.028614 -29.861391 14.330097 -18.048487 -1.50363 34.503143 -12.065351 -12.039923 16.494526 36.101913 30.871082 43.011013 12.779102 -46.727997 -9.885909 22.582933 -62.85047 45.571716 49.47869 -14.87221 29.183231 33.700462 -6.1434045 -40.15171 39.522297 54.2188 -4.581452 19.422398 2.4636824 66.053246 17.025381 -25.238432 -1.7315158 -0.248523 25.333405 63.87675 -57.869854 -16.937664 55.31087 -32.636345 7.9130516 17.708387 11.437336 -39.565468 7.9401236 -7.6414356 21.715115 49.796406 48.86533 64.80877 -8.468727 -53.724148 5.305336 -33.043633 -22.294804 24.453222 -10.430101 62.23984 30.060493 -38.32632 19.523508 23.097097 43.582012 13.151969 -3.786408 -13.661362 -0.00977017 64.08337 40.939587 -29.880186 -40.96862 -9.120633 4.62945 -33.213833 7.895845 22.020884 8.17442 -6.111162 -3.8272219 27.454308 25.82553 22.317802 49.280727 -1.6621768 8.11749 -3.6249137 13.935763 15.690688 18.577883 12.108254 4.837242 -24.502672 -6.1235113 22.498259 35.244694 18.713713 -18.426374 6.33069 -0.11629823 8.405749 23.420979 -0.7432524 -9.28171 -0.80447567 -23.935886 -7.4054675 7.6195307 -24.93401 -7.8478737 34.865494 -14.099504 -10.84999 15.047757 -16.664812 32.608677 -61.925865 -13.0101595 -26.556816 13.165694 -16.005526 27.757061 2.3023796 15.876134 -10.442934 -15.512011 8.658659 -0.7297043 49.219376 -1.6380169 -34.06219 -13.827813 1.4584085 -7.2473345 7.300535 -13.969926 33.69058 6.172939 2.5603645 -13.5877695 -17.003778 12.439707 28.015888 6.3698535 -11.271463 14.608686 7.3346386 6.1354218 19.632574 -41.603092 -21.245605 -3.079658 -4.128868 -24.547924 6.877696 -15.320451 23.06929 -6.3831854 9.538397 -9.653915 38.22034 -17.076136 -5.9566646 -3.7020013 5.208692 5.6284304 34.91013 44.95607 -12.102316 -28.786234 24.051018 -0.64228135 -12.670647 -8.169049 -8.618104 -1.5743848 38.02043 -6.570938 -4.316454 -9.671667 29.018833 9.522348 37.472664 -8.079039 49.768826 -11.184187 10.098493 -54.38023 2.8932428 -6.380564 26.668043 27.59621 (KDO)2-lipid IVA(6-) is (KDO)2-lipid IVA deprotonated at both phosphono groups and at the uronic acid carboxy groups. It is the major species at pH 7.3. It is a conjugate base of a (KDO)2-lipid IVA.
|
49791981 -1.2733216 4.090377 -1.0935632 -2.7871876 -3.0715032 -3.7809122 -2.344347 1.4643116 1.2431992 0.35267183 3.3836603 -4.2233267 -1.0641161 4.3174653 0.20408168 -0.81687343 1.500706 0.61338365 -7.011345 1.0441513 -1.3544819 -4.723801 -2.3494298 -1.1733063 -1.6150424 -0.35309803 0.29094 3.7805738 -0.6952052 -3.074165 0.5802126 -2.8157716 0.6576754 2.2443829 2.9350362 3.7471893 -1.0246445 1.4714223 -0.6319716 0.21309194 -0.8729838 -1.2932067 -0.11332971 -3.158591 -0.23677963 -0.7035942 1.5879568 0.07240653 -0.57811517 2.7686749 3.188836 0.5089921 1.7350754 2.353141 0.57351017 0.44770983 -0.9642194 -0.87377155 -0.05601856 -0.93219596 -0.75721097 -1.3863555 -0.9598265 0.7354858 -0.7516645 0.8337474 3.6620533 2.3786051 -1.4957734 2.2609107 1.4945102 0.29894572 -0.19367218 -0.35804838 -1.2652215 -1.8553479 -2.6530924 4.325776 3.7546144 4.383143 -1.8599153 -2.4821773 1.1880698 1.1112262 0.8603266 -1.0278431 1.5550532 0.049036212 5.4101768 -1.9005982 -1.2107956 -1.5333041 -0.35009724 -0.7281133 -1.0645912 2.7680423 1.7782242 1.1708106 -1.5444266 0.5280223 1.2740996 -2.994707 -5.083088 -2.5340126 2.0071132 -0.81927025 -0.5779505 1.4316905 0.78208184 -0.5522108 -1.8024385 -2.1371646 -1.0726467 -1.19826 4.0591106 -0.21150658 -1.6643977 -0.9009525 2.4158726 3.5007954 2.1109636 -0.0852638 -4.3240976 -0.67178434 1.971387 -3.3010392 3.7805164 2.7844062 -1.3271332 1.3815609 2.250217 0.3607012 -3.8932781 0.73762864 6.3962426 1.871255 1.0969514 -0.5641547 4.208882 3.482422 -1.7627589 -0.9758814 -2.0986335 2.714587 4.3204412 -3.3085866 -2.034042 2.9822316 -2.658225 -0.86343074 2.7905807 -0.27526915 -8.348898 1.1128336 0.119903 -0.21291618 4.3265185 1.5654086 -0.175988 -2.0260653 -0.99172294 1.8313613 -1.4471995 -2.4753778 2.7651684 -1.3301686 5.785496 1.3765239 -1.345474 -1.189281 -0.59613323 2.013679 2.7417598 -2.9962647 -2.375238 -0.27115452 3.897202 2.6143157 -0.38502052 0.47328198 -1.083885 -1.7294407 -4.670218 -1.5506608 -0.6687275 -1.2354242 -1.5780405 3.2664852 1.7104812 -0.18030605 1.5731293 3.1432512 0.4657539 0.30018452 -1.9383917 0.15146255 2.8408337 -0.9975314 -0.26434398 -0.17612526 -0.9402789 -3.4998164 1.0605335 3.4630358 1.4950083 0.3802274 -0.56787556 -2.5650303 2.32826 0.48141444 1.7347558 2.4045422 0.91057706 -0.08346999 0.13464686 0.2677051 -0.34593946 1.7448665 1.0998836 -0.31628865 0.56402916 -2.3006933 -0.6343258 1.9930923 -3.453118 -1.3854257 2.3558133 -1.943508 0.35329333 -1.4906343 1.7550817 1.9805816 2.6119256 -0.8691711 0.69975066 -1.8595648 0.38944888 0.075296886 -0.62843424 -1.8645867 -1.0464561 -3.8587337 -3.1447234 -0.52096236 3.2913165 -1.1548566 0.67575634 0.26945275 -1.0854156 -0.27948782 3.293468 2.823833 0.6118074 1.1830143 -0.45622548 -1.4762379 2.3963916 -2.1651213 0.3412896 -1.4279556 0.8563412 -4.055934 -0.19264424 0.7174051 -1.181193 0.970453 2.401514 1.1276546 1.4741282 -0.28998667 1.7460469 -0.6920507 -0.6044549 3.644258 4.841431 2.5332808 1.9362438 0.10778851 0.32868534 -1.2914603 -4.9706626 -1.7864436 -1.9768631 2.8648682 4.812664 -2.9620907 -1.9646516 0.8089483 4.6912875 1.4562421 0.9187171 0.7244347 4.6237445 -2.8028467 1.4955746 -4.906097 1.4709527 0.20945776 1.5937029 3.415368 Dehydroascorbide(1-) is conjugate base of dehydroascorbic acid arising from removal of the acidic proton at the C-2 position; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a dehydroascorbic acid.
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5460984 3.2157054 3.380725 2.0460346 -6.7793117 0.5465355 -3.8407805 -2.8988488 5.1244226 -5.8050394 4.351069 5.772264 -6.7656136 2.1538687 -2.7177298 -1.7687114 -4.8075776 -0.33070827 5.4685526 -7.6695447 -0.90604174 -4.4826994 -3.0990193 -0.13208856 -11.997271 -2.277848 7.387198 1.1415312 8.627369 -5.1175175 -5.579812 -0.25677955 -5.613211 -0.6684681 5.5655046 7.2728367 5.3673606 -3.8462522 12.512891 -1.9119825 7.7059946 -1.500244 -9.107997 -0.09312466 -1.6416081 -8.963351 1.3399324 -2.159075 2.356253 -1.3877692 4.6720605 6.8898997 3.5946808 6.3984303 6.1452174 3.6851096 -6.6509566 1.2983987 -1.8704935 0.68923724 -2.918938 -0.87885576 -9.36041 -0.31397134 11.141625 5.7431235 0.57899964 -0.3924247 -1.6580912 4.004075 -3.927857 1.0443275 -1.8214921 -4.5145555 3.9398355 -2.552034 0.7173066 -0.84107274 5.118022 1.6820965 0.80365455 -5.611864 -1.9920045 0.6627401 6.7431626 1.6156776 -0.14954734 1.5519164 2.8441086 9.513786 -5.740311 2.0867815 6.6720543 5.8527913 -1.580055 -0.39600906 -1.1095861 1.0972595 0.050811224 4.6074085 6.184792 4.6582794 3.4718304 -4.799721 -0.877107 -8.746641 5.487328 1.5230824 0.47759938 4.30522 7.7820554 -4.390176 5.2585444 -8.501845 -2.02278 0.5079453 -0.23456782 -1.4171228 3.3974154 5.815021 8.94574 11.915924 2.3788197 -3.8669796 -0.5242854 3.7729564 -14.247742 6.0339923 10.141097 0.35967472 6.216777 10.689685 -7.6446867 -3.5445147 2.9083052 5.989059 -2.5821505 4.618546 1.8904339 12.53028 0.15009278 -5.708316 1.4021618 0.79057765 5.0643673 9.354994 -14.065246 -4.3964806 9.530942 -7.4095883 0.8632959 1.4160684 -0.49429587 -7.405763 2.121479 -4.2613363 2.8495464 4.5945096 8.807358 13.206786 -0.73107684 -10.364207 3.4614997 -4.3594694 -6.958618 7.3932853 0.048595197 3.6292007 9.205972 -4.483784 7.0301156 3.2873294 7.3931417 -1.2570803 1.7695369 -1.755705 -0.3509912 11.551353 4.0275536 -9.769829 -10.977316 2.0207644 1.8478681 -3.9419215 1.3180717 6.7213397 3.7344384 -2.9182458 0.57704467 4.5833693 8.614933 2.2720969 12.236278 -2.7100222 -0.6795281 -1.1981845 2.3634288 1.9086783 6.2834635 5.082572 1.3253676 -6.1855345 -0.28338614 3.2758703 3.2132099 1.1675509 -7.293897 1.098728 -0.17375213 0.9295529 0.3346374 -4.7619085 0.03202614 5.126659 -9.230583 2.0729952 -3.0786562 -5.9588404 -3.4708223 7.485723 -3.1882734 -3.1184056 6.354025 -5.4702215 4.712327 -16.874163 2.3654513 -4.2535605 -0.36777645 -6.2762127 6.0653105 0.3878461 1.5252396 -4.6821012 -4.258897 1.3662937 0.504693 10.667128 -1.029829 -3.7833333 0.08307854 -0.9018284 -2.74981 2.4293606 -2.3066196 2.4687245 3.271426 2.0605452 -1.0267489 -4.153726 7.9786205 6.631789 -1.0420064 -1.5825901 2.399378 1.7271305 -3.0553205 7.019149 -6.38934 -6.6672363 -5.220416 2.4459171 -5.4801054 -1.2241226 -3.8240914 4.238001 0.9966 1.1905485 -6.183822 7.555132 -2.886245 -5.496441 -3.2360702 2.599053 3.497766 -0.5866802 10.17721 -2.3353457 -2.630012 5.843388 -4.8277044 -5.9110518 0.41550827 -3.363717 -2.920304 7.8865848 4.5486217 1.7673447 -1.8726194 6.0621734 5.9444833 8.4462185 2.9188108 4.9251804 -0.22183572 3.232397 -5.391289 5.0643954 0.28324232 3.9585536 4.3609505 Gondoate is a very long-chain fatty acid anion that is the conjugate base of gondoic acid, formed by deprotonation of the carboxylic acid group. It has a role as a plant metabolite and a human metabolite. It is an unsaturated fatty acid anion, an icosanoid anion, a long-chain fatty acid anion and an icosenoate. It is a conjugate base of an (11Z)-icos-11-enoic acid.
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56598865 -2.509589 2.9218364 -0.48407364 -4.2406254 0.20222734 -9.273596 -8.749499 2.8814988 -2.2835422 2.2512527 8.834012 -11.822529 0.47423697 11.469608 6.022904 -2.0873897 3.79255 1.5477022 -12.803688 5.8245497 -5.244222 -5.8786826 -1.295735 -7.8113203 -1.6828316 0.3222918 -3.2801723 12.728283 -3.9804769 -4.077384 2.9896338 -4.9314175 2.9085689 5.5224786 2.7763085 5.0435753 -1.1245104 6.208361 -0.13540745 -1.8202173 -3.3900836 1.6893739 -0.02813968 -7.060309 1.1456492 -6.8598685 8.697471 -5.184525 2.1926036 8.549118 8.430198 -1.8655261 5.2217574 5.1646957 0.5020287 0.20824091 -5.937047 -3.569306 -4.264234 -1.6044307 -3.6777604 -7.117127 -3.4392762 8.205394 2.020996 -0.0037343502 3.10372 0.78771865 2.0704672 3.447078 1.3612292 -1.6386498 -2.0914168 1.5991472 -3.4645023 -1.6599063 -9.115007 14.923973 7.4278784 7.2151976 -1.7238748 -2.7205262 2.06805 2.0974593 2.2423508 -2.5960596 0.46028528 -3.6567218 16.142963 -5.0556536 -2.6012769 -4.6068735 -0.9656854 -2.3484414 0.45835143 1.630486 1.6527096 1.0171661 -2.4360473 1.2655437 0.25018406 -7.127078 -7.0470786 -4.403224 2.518122 3.7312822 0.8720194 -6.55616 2.8632753 4.6130924 -4.9137893 -1.6180704 -6.7719865 0.06340705 9.201612 -3.828642 0.1548838 1.1986381 5.2809057 8.794214 6.5351043 1.1351621 -5.023074 -0.70816576 9.289057 -13.018934 9.267525 10.15691 -3.2478743 2.5769334 6.655914 0.6657913 -10.117006 4.1536455 12.103879 6.519796 -1.0908408 -2.390136 6.5823655 7.5692296 -4.846555 -0.98181224 -2.6162753 5.1191936 10.764414 -11.037528 -1.5439447 1.847362 -9.457521 1.0859243 6.737553 -3.11269 -14.4308195 3.2099369 -3.7736866 2.411575 6.812179 2.2172554 4.4996924 -8.629984 -6.649643 0.28273326 -2.447784 -6.9626594 10.577713 -3.6586556 11.622387 7.4549155 -4.659324 -2.6208806 2.0038111 6.4451213 5.3730335 -0.43768647 -0.18071656 -2.8220005 8.236517 5.0437126 -8.253129 -2.5314348 4.6091323 0.020980425 -9.748989 -2.7644517 6.003884 1.2603089 -7.000873 4.8604217 2.0397642 4.5087695 6.443349 0.23989391 -0.56830174 0.26045772 -4.5114083 -3.7442036 5.330523 0.69297326 -0.05551836 -0.35911244 0.10529353 -6.6530275 2.7618651 5.7675595 -0.7801489 -1.1021817 -0.6747312 -0.88336164 4.44497 4.4012704 -2.8136826 3.0764053 2.8324783 -4.2165546 4.4481215 4.4212546 -1.7148962 3.9679854 -1.2967973 -1.9023619 3.6962373 -7.677573 -9.991764 -2.8578944 -10.759195 -0.5183611 5.678506 -2.4517696 0.39837837 -3.0874493 4.71974 9.701799 2.933979 -5.059793 -0.9244909 1.5648935 0.76322323 2.625136 -2.351749 -1.9178805 0.8199328 -7.0674825 -5.2143207 -0.36804217 1.913836 -2.827778 5.327768 -0.7038381 -8.051448 0.44915915 3.1482918 7.0913186 7.5623097 0.78715247 -5.527042 -0.923505 4.4102383 -5.4996333 -0.83221614 -8.836777 0.14437963 -5.9284015 -5.0510054 3.9042919 -5.794701 0.98112214 -4.137458 0.48217842 1.9955558 5.240927 2.003599 -7.122592 1.8741474 9.037358 13.637777 -3.4034414 2.9671197 4.683267 2.0364451 -1.3111659 -12.416691 -5.790738 -6.893414 10.269711 8.795509 -2.851173 4.0958624 -2.8245828 8.951957 1.0770994 3.8965728 2.5822253 9.158286 -5.2972527 4.2286572 -8.211876 -0.3943286 -3.008091 0.92373705 7.908777 Egonol-2'''-methyl butanoate is a fatty acid ester obtained by the formal condensation of (S)-2-methylbutyric acid with egonol. It has been isolated from the fruits of Styrax agrestis. It has a role as a plant metabolite. It is a member of 1-benzofurans, a member of benzodioxoles, a fatty acid ester and an aromatic ether. It derives from a (S)-2-methylbutyric acid and an egonol. It derives from a hydride of a 1-benzofuran.
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5280637 -3.7504668 5.5512357 1.121654 -3.1449807 0.86167645 -16.232674 -5.089093 3.3690884 5.31955 2.34178 7.2044697 -11.265423 -3.901372 15.231282 9.863051 -1.4638326 7.4885073 -3.2786114 -21.92744 9.581822 -6.7802963 -11.390298 -3.5576231 -8.178481 -1.0391842 0.6039912 -0.92941236 9.141593 -2.866627 -4.46221 -0.0029207133 -0.9768088 6.408449 7.322969 7.382837 3.949405 -1.5709202 6.041109 3.1246004 -2.173017 -6.618465 2.251166 -2.4666493 -6.6004705 1.8987269 -1.0988266 8.667771 -1.0819724 2.1010683 16.549835 9.153152 -1.2895167 6.333709 3.865692 4.2308025 2.3494184 -8.669765 -0.87805855 -4.517668 -1.6634215 -1.8514601 -6.086041 -2.3271227 2.319159 -2.4380364 -1.205634 2.3373926 4.0973163 -2.5052516 1.5433164 4.7980285 0.40069228 -3.7271037 3.1562798 -2.840258 -7.249465 -13.548437 15.524275 6.892974 7.7622795 -1.1355228 -7.8053145 -1.2209321 0.71200955 3.120965 -1.5441946 3.5692217 -0.99097985 12.509594 -6.34775 -1.5460933 -8.179153 -1.2176864 0.1819393 2.6210918 -1.872072 4.798518 2.3130238 -5.252697 -0.57049066 2.7376518 -7.457344 -12.691314 -1.4452944 9.595844 3.3305843 -0.51331043 -3.0064805 3.3968124 -0.2382994 -7.741985 0.9658802 0.39263707 -1.4414786 13.985587 -8.261656 -1.4786893 -0.5489204 7.5584664 10.463461 8.749484 1.5310636 -10.623039 -4.9632897 9.945608 -13.858293 10.278335 8.920321 -10.646885 4.3131976 1.7603521 3.2476797 -11.47526 5.1279693 19.57407 8.778145 0.012358218 -5.9178896 9.17798 13.27317 -7.056471 -2.6735604 0.5785145 7.198998 20.02646 -8.533989 -4.479832 6.342104 -11.155271 1.3964739 13.811893 -2.147786 -18.115683 3.75047 -5.3673854 5.682418 13.026001 5.063003 6.6656647 -9.966259 -8.826749 1.3057356 -4.672125 -4.0872097 13.102974 -4.2383013 22.434696 6.9209466 -5.594467 -4.4040256 2.740439 6.728624 9.760728 -4.351059 0.8165552 -0.19335407 9.362274 4.8051643 -4.864935 4.04004 -0.27368516 -1.7938854 -13.917154 -3.493452 3.9983366 -3.9934757 -4.3083625 0.13660136 0.20281996 0.974491 8.748238 0.76113206 1.2612993 3.853001 -8.019955 2.2444682 4.209513 -1.2425278 -1.9657557 -1.8494958 2.124354 -9.242327 3.9695668 7.7983227 0.052944496 -0.8480065 -3.348636 -2.095835 4.4863753 5.319409 -1.5825139 5.7066665 -3.166731 -1.1753938 1.8682233 4.7613997 -2.257484 5.867609 0.76245713 -7.4009275 0.83398545 -9.908396 -5.745159 0.5757631 -7.1741395 -5.570533 4.2794743 -2.6977854 4.634994 -4.889568 4.240534 10.475605 4.7816167 -1.7749873 -6.5901737 -0.9695326 2.9987156 1.4348454 -5.6054587 -4.9589868 -0.76021737 -8.4250765 -6.709876 -0.6296402 5.6600986 -1.0903528 4.4648466 -3.416427 -3.944766 1.1276169 2.7940722 8.038046 1.2937193 2.9225078 -0.7745752 3.4682798 2.9194143 -12.006138 -1.500183 -5.8205996 -3.0102296 -7.520366 -4.0577583 5.146998 -8.071364 -1.895576 1.9274778 1.9120635 4.499414 5.2945046 5.0249844 -2.791465 -0.6779813 11.939728 15.917856 4.494016 4.525241 2.5019135 5.1376023 1.0961826 -7.88898 -8.99326 -4.1025357 6.0637054 9.968819 -8.28471 0.39146087 -2.3258157 13.122907 4.153036 1.2984368 -1.1866645 13.907455 -2.2669833 4.971674 -9.0564995 2.0215611 -4.4379854 5.360923 5.3473997 Luteolin 7-O-beta-D-glucoside is a glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as an antioxidant and a plant metabolite. It is a beta-D-glucoside, a glycosyloxyflavone, a trihydroxyflavone and a monosaccharide derivative. It derives from a luteolin. It is a conjugate acid of a luteolin 7-O-beta-D-glucoside(1-).
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79033 1.2235242 1.2033514 -0.72385573 0.3934269 -1.0729172 1.0953056 -0.82129246 0.037238523 -1.5167372 0.16288492 0.1616064 -0.7930938 0.026179317 1.1488926 -1.0491004 1.4531932 1.8200191 0.97399044 0.0069582015 0.8565304 -1.850574 0.76508164 -0.7426039 -1.0690613 -1.0648209 0.47939867 -0.25736636 1.190841 -0.4650798 0.6722903 0.25811553 0.9247698 1.293255 1.3657787 1.352077 -0.42871788 -0.056355 -0.81322575 -0.10150774 -0.41370207 -0.5396182 -0.045125872 0.60813534 -0.45539802 0.24493732 0.42334443 0.42750514 -0.4369905 -0.40859216 -0.21459758 0.21982333 -0.4381617 -0.19695301 0.09763032 -0.72287464 0.65188587 0.5599975 0.525091 -1.6278958 0.03629422 0.62225807 -0.069376394 0.072561264 1.599221 0.12026133 0.10303401 -0.66304415 1.5886521 0.3656794 -1.4493392 -0.16091865 2.0164452 -0.38788748 -2.1567352 1.0509715 -1.0361922 0.16846494 2.0635808 1.8983302 0.98249406 -0.5423986 -1.2489529 -0.063236505 2.0780666 1.2232791 -1.2328348 0.8505548 -0.75842136 3.3782525 -1.4132895 0.1180505 -0.54337764 -0.96714896 0.9739859 -1.6015222 2.6349418 -1.4986784 -1.0289781 -0.991389 0.28850803 0.22387461 -2.1909275 -1.8454871 -0.96076936 2.2765136 -0.15426594 -0.5226917 -0.6032753 -1.0481615 2.0683684 -0.45657715 -0.638565 0.22338927 0.25984523 2.1508358 -1.8880069 -0.11348638 -0.43534 1.2903849 1.2920004 -0.60598963 0.3461242 -2.6782975 -1.1425265 2.3804135 -2.0064728 2.746728 0.23829108 0.972933 2.3465056 0.9133578 0.13747689 -3.0784807 1.9493943 2.658717 0.24309292 1.643306 -0.32767224 0.57114303 1.7003944 0.056922287 -0.9321308 1.1174787 2.6319435 0.32922167 0.29909644 -0.9656524 2.1668503 -0.13183594 0.75668854 -1.5021244 0.6679268 -1.8175483 -0.74909556 -0.030173123 -1.6749152 1.5576802 0.3257757 0.81175697 -1.4441488 -0.3226901 -0.13298786 -3.5750122 -0.38281903 -0.9472462 -1.6196705 1.4853965 0.92417336 0.22767156 -0.7956321 -1.9345026 -0.2220282 0.7961373 -1.3659989 0.41130224 -0.07577455 -1.514384 1.3596793 0.010327525 0.9724809 0.60061705 0.27508274 -0.40195882 0.41072243 2.456048 -1.3216122 0.56477916 0.0326223 -0.2154533 -0.05343584 2.3209548 1.57468 1.4443716 -1.5441276 -1.8430741 0.4078278 0.57500005 -0.7333445 -0.6159694 0.13755408 1.4159355 -0.5905421 1.384841 1.0210371 0.8110797 1.7183602 0.27542663 -0.13109457 -0.85343003 1.9137715 0.9296931 0.31491143 0.08149547 0.35550678 2.9464157 -0.0038801804 0.93346196 -2.195818 -1.6022086 0.8033927 1.9693722 -1.3376007 -0.93129146 -2.168891 -0.7646564 -1.3402511 -0.05593729 -1.3742783 -0.5747582 0.036299285 -2.173722 -0.43513644 1.0134747 -0.12511055 0.43228397 0.83580184 0.08843937 0.9665126 0.8988352 -0.80359304 0.59875274 -2.4477596 -1.7105632 0.77150375 -1.6263031 -0.6231359 1.4267908 0.72002745 -0.6432359 0.7181918 1.4237548 0.63421386 0.92877775 0.41156712 -1.299032 1.6474131 1.5044904 -2.6201854 0.46672124 -1.179496 -2.5476458 0.51876444 -1.6557052 0.7054534 -2.9226422 -0.9499227 -0.52001214 -0.4292334 2.0099697 1.3087742 0.042899564 0.23200166 -0.9953772 0.6464467 1.2561562 -2.0537324 -0.9580674 -0.7567213 -1.3379623 -1.409955 -2.2634945 -1.4360373 -2.0747323 0.50673705 0.55791587 -2.1853826 -0.9880398 -0.7269921 1.0946294 -0.22103035 0.044432133 -1.1018429 1.7100322 0.10242982 -0.08403944 -1.3845779 0.21581808 -0.80522203 -0.48891574 0.489186 Pyrazolidine is an azacycloalkane that is the 1,2-diaza derivative of cyclopentane It is a saturated organic heteromonocyclic parent, a member of pyrazolidines and an azacycloalkane.
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135398619 1.6358838 13.165003 -0.4753076 0.9299785 3.839289 -16.168617 -0.90628564 8.514987 9.697812 4.0667715 5.590834 -10.171761 -4.0774856 12.632016 2.9091969 -2.7097046 3.9069107 -1.4988773 -21.833605 9.397375 -8.887811 -9.879129 -12.963762 -4.0276203 -9.626622 0.9828056 -2.2830415 6.998597 -0.30468568 -6.6968412 0.9422253 2.1294317 4.4333262 6.479278 13.6512575 2.0064287 1.3278296 7.2282476 1.8263816 -4.9987984 -5.7273455 3.6300526 -3.8863149 -4.430996 -8.636992 0.7899174 3.6660964 1.5841475 1.1665272 4.801185 10.24019 -3.4129272 5.1945233 6.1107597 9.200177 -3.8052034 -1.83006 -2.414748 -7.334081 -5.9180074 1.5147785 -3.6456254 5.689113 6.6926622 -5.367415 0.6831191 1.2088422 3.8132324 2.270322 0.60304624 1.5316474 3.1559358 -11.581189 2.6323133 -0.1926069 0.58248496 -10.515722 9.604974 3.1601987 4.0746107 -2.7173717 -7.2809844 0.5799964 4.116696 -2.3111231 -0.14731836 9.850004 3.5314887 6.828074 -7.287212 -3.2604704 -2.915236 3.25262 -0.5476916 -4.4344115 -0.12693308 7.8761325 -1.5496094 2.300386 -0.94107044 4.490448 2.4411378 -11.372206 -0.37411398 4.678981 -1.8555404 4.763284 0.5960405 3.1708646 9.0128355 -8.238731 -1.6134868 -2.0968287 -2.5963895 12.8367 -3.5033734 -0.38246638 -0.100283325 10.089599 6.9578404 10.033644 -0.39064834 -19.100945 -0.9236 7.160329 -10.097499 17.218895 6.7589707 -3.300259 10.537029 4.3233695 3.1101882 -12.07367 10.63871 20.432608 1.7281218 8.71739 -0.4056429 13.465973 12.2892275 0.964633 -3.377781 2.456009 8.121165 16.036821 -5.527872 -4.5567346 16.107235 -13.211045 1.9977486 11.196097 2.065826 -18.8275 -0.06446419 -3.0770886 4.269074 14.989502 9.766067 10.828359 -7.337437 -5.6611753 -0.27772534 -15.619775 -3.1716626 3.7830515 -9.001447 21.63329 5.0863676 -5.922077 -3.0499954 4.419729 2.8369272 10.302862 -6.5394373 0.9398624 -2.3419304 10.33318 2.546938 5.643054 4.3548393 -4.2655225 -0.80275786 -2.5083225 -3.569023 8.730343 -3.5507498 1.4232882 -3.8287463 1.0804483 -5.967134 10.665487 3.849925 1.9312793 -1.5811158 -4.3456297 5.7883716 0.71612144 -4.827356 -4.1716175 -1.5058855 -1.812224 -6.2649713 7.676839 9.012609 5.2191086 4.3765817 0.58600485 -4.613369 6.734197 7.8335724 3.9907384 3.9376235 -1.8814447 6.105981 0.05519858 7.2807007 1.5266435 6.389037 4.1215315 -3.195154 -3.8720863 -13.424626 -3.7707746 3.3459663 -6.0824485 -9.263952 -3.8049428 -4.2316036 3.5238538 -4.3159904 -1.3109865 5.9341035 -0.6093095 1.26591 -3.797569 -0.46791562 9.55103 -1.842442 -1.8611656 -3.648679 1.4335645 -5.8645844 -4.3294272 -1.6503689 6.4831944 -1.4199725 0.81165206 -4.8311753 0.578024 -2.2221856 6.11728 4.009482 2.3745477 2.5552468 1.396431 7.791423 -1.4376525 -13.802217 -4.0771036 -0.765025 -4.3808947 -3.794529 -2.4192162 2.7617865 0.8699448 -2.8489501 3.8049312 1.0275139 1.3902779 -0.9783178 1.3345338 5.334912 4.9183893 -4.6703176 12.844195 5.7210546 2.2467747 -8.419526 0.39676186 1.9094771 3.5192938 -6.947621 -3.4509242 -0.0006508231 4.5684886 -9.491094 -1.1491448 -4.9426327 4.3139715 -3.6605096 2.1569128 -4.7722874 9.676512 -4.4885488 1.2602044 -6.823943 -3.9904346 1.9337773 1.7804697 4.1067824 GDP is a purine ribonucleoside 5'-diphosphate resulting from the formal condensation of the hydroxy group at the 5' position of guanosine with pyrophosphoric acid. It has a role as an Escherichia coli metabolite, a mouse metabolite and an uncoupling protein inhibitor. It is a guanosine 5'-phosphate and a purine ribonucleoside 5'-diphosphate. It is a conjugate acid of a GDP(2-).
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25244140 8.669283 19.80948 6.861017 -9.108168 7.374479 -23.735016 -4.8399167 17.27138 3.7526834 13.754458 17.807999 -15.231082 -1.5945973 6.1124697 4.751641 -12.114762 4.2927465 0.5034312 -31.807383 10.721145 -22.473051 -18.612293 -17.787146 -19.012733 -16.645033 9.620078 4.0343904 18.023703 -9.678455 -16.342213 -1.0433908 -4.0037556 2.1327212 16.668623 19.533867 9.150754 2.3413308 22.254206 -0.72867334 7.394393 -14.456882 -3.2239645 -3.4623485 -8.637677 -19.471634 1.1881793 7.4774456 0.3850403 -3.9358354 8.657615 23.721909 -0.30329657 14.903019 11.925247 19.322609 -7.439592 3.9025075 -3.1520987 -9.104049 -12.229752 5.26049 -14.566538 9.10271 15.856533 -0.57979476 -0.66600066 7.1644287 0.72173834 5.96927 1.3419102 0.17056787 6.401968 -20.152027 8.447571 -2.5487595 2.0987585 -17.877516 8.162416 6.0039988 5.6135197 -9.870369 -11.572465 -1.4932675 8.954651 3.0188248 -2.256877 13.537739 9.462428 18.213972 -9.707335 -3.270361 1.8322966 7.420118 2.5391226 -7.4325194 0.40494135 15.560083 -1.6815811 7.4815726 5.7135525 10.831205 9.867958 -11.395992 -1.1865082 -5.760008 -1.4083866 1.8422824 -1.9788525 8.726627 23.702265 -19.241652 -2.8373976 -13.5341835 -2.7313137 15.459879 0.29828107 -2.642698 0.63181627 15.407488 14.733756 22.207129 -2.0133624 -26.515469 -0.9786169 12.219777 -26.351908 29.218416 17.856672 -0.60065997 21.744562 15.827601 -2.3527172 -17.827543 19.041443 25.370348 1.5170321 9.6200485 0.5997021 29.198574 14.530362 -2.451333 -5.7266264 3.8478062 17.494062 29.076313 -25.626715 -5.654719 28.619293 -23.503428 3.440743 15.446819 1.7304938 -23.735712 2.0378883 -7.0786552 5.540329 19.098629 22.729252 25.685822 -10.304986 -15.861085 3.2628765 -21.781435 -12.834149 11.463172 -11.631794 27.389755 14.086181 -19.519766 1.3043598 8.436621 14.6075115 10.052439 -6.7537603 0.7119427 -7.1381693 26.519222 11.051108 -2.5182066 -9.918615 2.211451 0.03263233 -7.9983263 -2.6052086 13.473706 1.6088505 -3.512786 -2.5594413 4.8723335 2.3907783 14.53987 16.299368 0.9307389 -2.8242466 -8.10457 4.370719 2.4097095 -1.1640528 -1.5535307 -1.3129897 -11.2965145 -11.329982 11.787928 18.442072 2.7827497 1.6676118 3.0327237 -2.407966 12.868747 13.498965 0.63759494 2.3509488 1.6822602 0.7236398 -0.6459855 10.220212 -6.6486487 6.4741054 15.203103 -1.0728436 -3.4366517 -6.59682 -10.484804 8.327088 -21.2828 -9.928346 -4.8671675 -0.4509467 -1.2013868 -0.16510582 -1.9203509 13.227998 -7.366652 -8.125686 2.0272815 2.254537 21.488846 -4.608841 -2.4499307 -3.575595 7.451032 -1.081045 -0.13735619 -7.6617126 13.567522 -0.27759975 4.6739745 -6.607678 -4.3858495 1.0349282 15.208551 6.9780936 5.413842 0.25700247 -2.0430942 7.294881 6.4153323 -20.73172 -6.9082413 -6.0327415 -0.117174834 -9.498129 -2.8812883 -4.8973207 8.844365 -3.9626951 5.1234045 1.3426424 12.150349 -6.955483 -1.7058705 4.9958553 15.149672 0.32351357 21.69998 7.6123548 -1.7329873 -14.283673 2.7737586 2.2364235 1.0380707 -7.682708 -9.935781 -0.47048563 16.030321 -7.1226406 0.26030737 -8.069702 9.388636 -3.1392782 19.499043 1.8057606 16.188564 -6.1543164 5.3637757 -18.845455 -1.530724 8.951521 7.175748 9.307837 Decanoyl-CoA(4-) is an acyl-CoA(4-) species arising from deprotonation of the phosphate and diphosphate OH groups of decanoyl-CoA. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a saturated fatty acyl-CoA(4-) and a medium-chain fatty acyl-CoA(4-). It is a conjugate base of a decanoyl-CoA.
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50294 -0.9376161 3.9152143 -3.2173657 -2.2165751 -3.2061572 -5.4803967 -7.3758745 5.6525264 -0.050591797 1.5649275 6.304861 -10.939409 -0.2665205 11.747991 3.086424 -4.2218885 7.6144958 0.9598136 -12.531791 5.1116304 -5.6734548 -6.2004123 -1.0490434 -8.471538 0.6471104 -0.7843686 -0.45680326 7.218442 -6.262777 -6.5585117 -1.3879516 -2.7699366 4.0521684 6.8164334 2.036348 7.1528387 1.2588868 4.475819 1.2782979 2.4234047 -1.9330986 1.1039441 -0.58863527 -7.095291 -0.977348 1.6769896 7.0524373 -3.0935738 1.5507152 4.3326354 7.6501913 -0.14315072 3.0456576 8.4615135 -1.0591516 -0.84849834 -3.773507 -7.0408673 -3.380131 -2.464171 -1.2037475 -5.3235292 -1.4032472 5.1187325 -1.7122781 1.9820383 2.3746724 3.583008 0.33115238 3.7481031 4.539741 -2.6062536 -3.8663254 -1.6163378 -3.5709686 -3.766368 -4.862827 9.115088 8.514326 8.492445 -0.98225456 -6.5637403 1.4305845 4.2943454 1.2724602 -0.70569515 -1.0021045 1.8178891 9.130132 -4.7794414 -1.692501 -2.397672 0.8890282 -0.51895654 0.36288717 2.2212613 2.1088142 -1.1695062 -3.2472053 1.3684365 -1.3547066 -5.4349737 -7.9488826 -1.4659247 1.4113024 0.8340704 2.761097 -1.7820331 -0.34368372 2.150232 -2.5873134 -0.7622931 -5.7632446 -2.1681428 6.4792194 -3.7348137 0.90672493 1.7814311 5.8730726 9.457262 5.9765024 -1.4815978 -6.563156 -3.3683338 6.5510836 -6.786868 8.722681 7.1606913 -1.5965643 3.7475855 7.768976 1.8427181 -10.71218 4.5287833 13.94775 4.388379 0.09875741 -1.313367 8.298563 10.759449 -4.2514343 -3.0233078 -3.0628572 5.8454065 11.080059 -8.020938 -3.479127 4.5150657 -5.4399996 0.20546044 6.5555787 -2.5832238 -13.532236 1.3355669 -2.605761 -0.20841086 7.69019 3.5239787 3.5019677 -6.4227877 -5.929931 0.88564545 -5.49091 -5.008287 9.13896 -7.2189875 10.74096 5.382934 -5.760178 -1.4998021 1.5563859 3.7842715 7.7951465 -1.0995189 0.30640805 0.06538156 8.135368 4.4753933 -3.5786903 0.63450223 6.023072 -3.1693034 -7.5473413 -1.4761558 3.6916747 -1.6049775 -5.9551024 5.495354 1.3651431 1.4599706 6.9801254 1.0479771 0.5551044 0.99927557 -4.5320835 -1.0206696 2.2408948 -0.948751 -1.4941857 -2.0644326 -1.9194627 -6.483855 -1.4442608 4.3099127 -4.147348 2.0952537 3.4423797 -3.9478772 5.6217813 3.029128 -2.1378891 6.110954 3.5635722 1.2972379 6.4499593 0.8549654 -2.866851 2.4346435 -0.00018835068 -2.5618937 -0.87084776 -5.195436 -9.053448 -0.7214657 -9.428318 -0.25852424 5.509424 -3.3007746 0.6471246 -5.862328 3.0765777 8.622568 1.5709085 -3.7221932 -2.4907722 -0.6220354 1.9089328 0.93203485 -0.14720815 -0.96782625 1.9425951 -8.015267 -6.5753274 0.83186305 1.6784897 -3.6050048 7.6725383 2.8032768 -5.788005 0.88807595 7.402106 4.5777936 4.814488 -0.8476043 -5.3444777 -1.8083957 6.353727 -5.85497 1.9950984 -9.870233 2.2353172 -5.4796653 -6.5863137 4.4659834 -7.068455 1.2016791 -0.06594254 -0.6661454 2.7750793 3.4967418 4.8767853 -3.4659889 2.526091 11.634928 10.143321 -1.0710236 1.9261467 3.9178534 -0.3625548 -2.3353293 -8.8922825 -3.9994142 -3.3480146 4.810809 6.228545 -2.70401 3.0518012 -0.57282984 5.711307 1.6205007 4.4395666 0.22009167 9.247887 -5.0429897 3.2838483 -5.7287197 1.736569 -1.00891 2.497329 5.4507995 Nedocromil is a dicarboxylic acid and an organic heterotricyclic compound. It has a role as a non-steroidal anti-inflammatory drug, an anti-asthmatic drug and an anti-allergic agent. It is a conjugate acid of a nedocromil(2-).
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23666456 -0.19593579 0.8600524 0.76647687 -1.4291013 -2.7403297 -2.7067237 0.2013179 0.36749995 -0.38119707 0.41646692 1.8474351 -1.7014676 0.018370263 -0.11413594 -0.6886549 -0.9616616 -1.4919287 -0.5639169 -2.4527833 0.95392466 -3.0175562 -2.4695435 -1.1958408 -1.7559328 -1.4492449 0.37543914 0.58340913 1.1101458 -0.44003314 -2.0453777 -0.38757938 -2.4541318 -0.33979794 1.6079974 1.9954896 1.3754431 -0.40578663 0.79432756 -0.4514442 3.1162302 -1.2586573 -0.47839153 -0.462476 -0.18966678 -0.9988398 0.7629927 0.66227627 0.6092323 -1.0530031 1.1917763 3.1021361 0.26411197 0.71268654 1.4461818 1.6134493 0.49450874 1.4280258 0.326908 -0.73261225 -0.2653941 0.25908187 -1.2287847 0.7803924 1.0364305 -1.0162525 0.81716096 1.8113244 0.39691645 -0.13646924 -0.47570902 0.75583696 2.0247002 -2.6259775 -1.0219718 -1.8573818 -0.71948653 -1.5621474 -0.23137057 -0.06482637 1.3525864 -1.2002164 -1.60844 -0.9242452 0.57365966 0.7074351 -2.0307865 -0.42145136 1.8671196 0.8226639 0.7735092 -0.8367061 -0.7465449 -1.0578885 0.7278466 -0.91886425 2.0426536 0.9109739 0.16568954 -1.3265431 -0.37258965 1.275564 -0.9839083 -1.282823 -1.3019586 -0.546201 -1.211536 -1.2767724 0.29216665 -0.38789147 0.6628989 -0.79202306 -1.7071157 -0.92682564 -0.09049608 1.112757 -0.07010752 0.24465254 0.0019304007 0.9098399 0.6578314 1.3837427 -0.59544194 -1.241417 -0.43384737 -0.057624415 -1.12234 2.3351562 2.671519 -0.39752787 -0.11822526 1.6837918 0.1931123 -2.2274501 0.27059 1.3929572 0.087186456 0.26885092 -0.3835484 2.9800932 -0.30062726 -0.7505589 -0.25448108 -0.52123004 1.6550003 2.5626314 -2.118672 -0.40811914 0.95628154 0.6351133 0.012661248 -0.49090087 -0.15660375 -3.0868137 -0.061087303 0.9653457 -0.3899897 2.018895 0.23597522 0.7746697 -0.3713706 -1.7072289 0.75408167 0.0351101 -1.8988545 0.14110231 -2.0132642 2.6010792 0.9574482 -1.4032965 0.64082384 -0.1574792 1.854934 0.11145964 0.0961976 0.0026678592 -0.64276737 1.9017041 2.3350418 -0.43881863 -2.6606207 1.1386653 -0.24109489 -1.9798204 1.0740691 -0.10731328 -0.53836155 -1.394386 1.0315018 1.0801786 1.1910697 1.6854632 2.6454322 0.78309256 -0.70142424 -0.90763927 0.38950217 1.5036197 0.66817373 -0.16041842 -0.6076764 -1.3406291 0.4727535 1.0700228 2.1848574 -0.5912202 -0.38587198 1.1936928 0.31165385 1.4352727 1.0283614 0.26490936 -0.77106315 -0.5167423 0.6699581 1.1833936 0.5028264 -1.5324731 -0.21870251 0.64950186 0.5057035 0.24733719 -0.22706214 -0.8943041 1.0578606 -2.6718845 -0.710353 -0.04423564 0.5502279 -1.392257 0.8985059 0.5213313 1.8241603 -1.2392564 -0.10159893 1.5015341 -1.1524285 0.9098666 -0.6609568 -0.52746654 -0.40551525 0.8205664 0.27086642 -0.4230996 -0.40998757 1.8029335 -0.526887 -0.53959167 0.86584187 -1.3139074 0.07797929 1.9587125 1.1815829 -0.32495126 1.7521236 -0.86913145 -0.30588937 1.0420234 -1.0941365 0.83791757 0.64157337 0.85358644 -0.7035035 0.18453537 0.31294024 -0.56194186 0.99488986 0.89781183 0.31081393 2.159837 -0.89608485 0.9193899 -0.16432416 0.9584597 2.298311 2.4768739 0.3700932 1.7743295 -0.30634028 -0.95011544 -0.55836487 -1.0383085 -0.34754956 -1.3467681 0.30866623 2.6522915 -0.32404512 -0.42964485 0.15390633 1.0280875 0.38592875 3.894411 0.000515759 2.3855388 -2.889772 -1.0815103 -2.27498 -1.7443827 0.023356393 2.4275417 0.11440866 Sodium lactate is an organic sodium salt having lactate as the counterion. It has a role as a food preservative and a food acidity regulator. It is an organic sodium salt and a lactate salt. It contains a lactate.
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11052745 5.546383 2.7661443 -2.2585711 -2.7238886 -3.288031 0.7944243 -5.436215 0.47600967 -0.22126356 6.625472 3.3195968 -2.8618793 0.6543482 9.053791 1.9784181 0.56493354 7.523805 -2.1030128 -2.6850986 3.3226168 -2.5626636 -5.6047416 -7.264072 -1.5180295 -5.1524067 0.66568077 1.0466436 9.557519 -0.17347968 -3.514465 1.0727323 1.5162066 -1.6042213 2.6687276 6.3488903 -1.1137373 -0.050263524 3.1310134 -2.8422015 -0.58556336 -2.4138246 2.3453057 9.393052 0.12908478 0.40674883 -1.8955171 1.5412785 -2.504755 -1.4417658 2.531563 4.5794535 -5.34346 2.3809714 -0.26299298 2.0878303 3.81812 0.053337533 3.7333398 -0.5727664 0.5047587 4.476596 -3.3747578 -2.5485926 8.103452 -2.084275 -0.5519326 -0.57003963 1.3401139 1.7101846 -1.017688 -1.1558571 2.4731078 -4.0535526 -2.218766 2.0824935 -2.5838068 -2.0540895 5.3453674 3.6084237 2.5247402 -3.7277236 -0.7801636 1.4481237 4.649008 1.7484637 -3.6507182 2.7142181 -4.310773 8.29449 -2.4678478 1.1383698 1.0933269 -1.2516475 3.1007524 -2.0392838 2.2326505 -0.4712426 -0.09890702 -3.2275536 -1.5406626 1.50132 -6.627579 -4.914334 -0.14300606 3.1465194 2.3172295 -4.5294137 -5.6011634 -1.6497126 4.302166 -3.0627198 1.6567707 0.65218323 1.1083821 2.9163945 -4.1870933 0.7415819 -1.0941418 3.9208393 4.350966 1.0396644 1.6670631 -0.6807548 -1.4620486 4.3758717 -6.789833 5.535098 0.44107038 -1.4461004 4.6113787 2.369061 1.7904652 -8.068703 2.599372 5.4054294 2.141456 1.7275044 2.2893212 5.75401 5.2816844 -3.5396888 -0.44720128 -0.5436592 3.3203435 0.2237919 -5.510865 -2.0501008 2.553036 -4.313194 1.3552877 -4.1807437 -0.72309566 -4.3895817 2.2110689 4.221596 -2.6711376 2.4064262 4.411245 3.4553916 -2.5440564 -3.7925775 1.0673752 -3.6974409 -3.16642 -6.296411 -0.41417015 2.2719398 2.333985 -3.1069024 -1.4424447 -0.37859255 1.6963402 0.014635257 1.5115267 -1.4108646 -1.6849257 -0.36010224 5.227511 0.1828534 2.065754 0.22018397 3.3850033 -2.6235015 -0.8300771 3.5334811 -1.4570975 -4.7165165 0.9088748 0.4683295 1.3521283 4.166166 3.6009343 2.141672 -3.465836 0.289757 0.19221282 2.7853053 -1.2956651 1.7663331 3.2024815 1.4280505 -0.6148448 3.0601969 4.5759163 0.6718087 1.7551582 3.0676563 -1.507995 1.4806484 4.211424 1.0367216 0.35257298 -3.3375695 -2.6133144 1.1336277 1.4642707 0.0076312795 -2.5167024 0.5145482 0.28350893 3.219833 -0.6863315 -2.8200204 -0.30915284 -1.217767 -4.2639456 -1.2225659 0.96366847 0.14339659 2.6371624 -0.86659694 -0.2822949 4.0548434 -4.250821 3.0657973 3.5482893 0.89924145 0.028238282 0.2624333 -5.3899746 -2.133288 -0.23220152 -2.2080355 -0.16843447 -4.5513 -1.4377712 -0.022171557 3.3960595 -1.6799369 -3.4041574 0.4395741 2.31885 0.5543455 0.24502078 0.89116496 4.241611 3.6653776 -3.6587014 1.8309236 -0.9868742 -4.79831 1.0443854 -4.833041 -1.9828663 -5.1936517 -1.9519851 1.0311381 -1.0401816 2.1552534 -0.17344305 -2.1145885 0.17146204 -1.5694637 4.8711047 2.146196 -5.2397103 -1.1786906 0.92705303 -1.5496615 -3.4736614 -7.797854 -1.451788 -1.8766881 0.4834301 -0.77358943 -5.9944816 -5.8813367 -0.31889263 3.8888426 2.3125076 1.3702246 -0.38695243 6.810126 2.5809937 -3.172222 -7.8508983 1.5700732 -1.1253061 -0.24726135 4.4906616 5-epi-alpha-selinene is an isomer of selinene where the double bond in the octahydronaphthalene ring system is endocyclic with (2R,4aR,8aS)-configuration. It has been isolated from termites. It has a role as an animal metabolite. It is a selinene and a member of octahydronaphthalenes.
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122004 -1.5354139 2.6151137 -1.9905908 -0.76474065 0.29208094 -1.1848888 -1.9256703 2.05781 -0.08200221 0.21015362 1.6822925 -2.3568742 1.2964554 3.393627 1.303503 -0.9890011 0.12121323 0.09427263 -4.7401886 2.3627148 -2.8888712 -1.5925378 -1.2782761 -1.7407956 -1.9739912 -0.93440515 -0.28336373 1.7143275 -0.6599035 -3.2536223 0.3684726 -0.5007513 1.7849479 3.200244 2.0932345 2.9145436 1.1549654 1.0267135 0.91626596 -0.7199228 0.38530612 1.1918342 -0.3161114 -1.323248 -1.414438 -1.237414 2.915816 -0.6689789 0.122569755 1.2648114 2.9665387 -0.6472487 1.2917254 1.8852625 -0.083485276 -1.33499 0.6429479 -1.7032304 -2.1750875 -0.40673608 -0.4882257 0.778775 1.3288803 1.3998163 -2.0071995 1.3227462 -0.33987767 1.519905 -0.7924687 0.77423126 -0.06816137 1.0603648 -2.0357647 -0.6476475 -1.6419882 0.63214964 -2.2978218 2.1533456 1.9954625 3.4252355 -0.26034397 -1.5706245 1.9377455 2.2093356 -1.3383877 -0.49536198 0.97877413 -0.9348156 2.3442585 -1.5837144 -2.4216142 -1.9796196 0.38050964 1.0522677 0.1949796 1.3161947 0.24668275 -0.46418846 -1.3548682 -0.12319354 -1.3583076 -1.235973 -2.4155328 -1.1893046 2.3844478 -0.6182408 0.9924935 -1.2367531 -0.8363765 1.7827017 -1.6867702 -2.1450088 -2.3755474 -1.8395863 2.4260728 -1.3399457 1.9381278 0.95954955 1.2555655 2.3886988 0.8943167 -0.9065961 -3.695143 -1.1099199 3.1327643 -1.8569108 4.55665 0.88769895 0.7089768 2.1106935 2.596549 0.083041936 -3.5699737 2.0403717 3.8950489 0.100714155 -0.040838726 -1.7950537 2.6464643 3.6502414 0.5930521 -1.2168312 0.2157423 2.6291654 3.1781468 -1.7485647 -1.1253661 2.3118658 -3.253941 -0.017143458 2.6346114 -0.23068231 -6.242856 0.7928258 -0.19412182 -2.1743956 2.393304 0.0864083 0.68824947 -3.8826172 -0.32618755 0.010672435 -4.014102 -0.6277283 2.1283443 -2.7162533 4.168686 2.1232762 -1.1638247 -1.5129473 -0.70470667 -1.8217102 2.9372482 -1.0870178 1.4538741 -1.3921378 0.89093554 0.065612815 -0.39763916 0.78111666 1.4430488 -0.9538631 0.06773096 0.03968355 2.2558331 -1.3898032 -1.8320444 1.6154168 -0.58364934 -1.2176219 4.644758 0.13005446 -0.74210966 -1.3879812 -0.7615686 -0.31589526 0.6950019 -1.3184824 -0.14006713 -1.0195196 1.1632113 -3.2337592 1.7252109 2.5435233 -0.59306663 1.9990277 0.5049508 -1.113721 3.0155504 1.52942 0.6572351 3.3087451 2.0260844 2.6453607 2.621011 1.9818823 -0.3962831 2.1588771 -1.713178 -0.053429127 0.93809 -5.8336725 -2.4711552 -1.4253558 -2.87547 -0.3533303 2.859346 -2.2765265 0.73759574 -1.9103298 -1.5357355 2.9394736 0.24967104 -1.089396 -0.080948874 0.5426106 -0.21999757 0.21513201 2.0158641 0.067980394 0.88679737 -3.0650065 -1.4764615 -0.5347312 0.43084115 -0.92748 2.3250694 -0.29557377 -1.3268442 0.23231679 2.1859748 1.0413007 2.5737014 0.15402669 -1.8600678 0.67014605 1.5030462 -2.6470816 -0.46573952 -1.640511 -0.3370081 -0.8245853 -3.5214972 2.050765 -2.6786113 0.6016264 -0.81745976 0.5547152 1.1786346 1.57608 0.91761017 -0.035251718 0.94896555 1.8988346 3.5058212 -2.4929607 2.4199765 1.5198628 0.47795358 -0.7393528 -2.1782215 -2.4072025 -0.9083507 2.6788218 2.5363426 -1.4697489 0.087209225 0.12895362 1.4044509 -1.500007 1.487216 0.29273507 2.7273817 -1.9156946 0.2979086 -1.8018869 -0.2935043 0.98706996 -0.27516323 0.8255843 N(4)-methylcytosine is a pyrimidone that is cytosine bearing an N(4)-methyl substituent. It has a role as a metabolite. It is an aminopyrimidine, a pyrimidone and a methylcytosine. It derives from a cytosine.
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995 -2.1791847 3.9306831 -1.8687246 -1.3994733 1.4714321 -5.8031006 -6.190426 3.1028411 -4.669473 2.3914447 3.8509314 -3.270908 0.62743354 5.1003475 3.8042088 -1.9381056 1.9302106 1.1367521 -6.0394316 2.59327 -3.9810202 0.29691014 1.3646266 -4.1248884 2.3767617 -1.2186822 -2.1000519 4.6889963 -1.6774384 -3.0506349 -2.384999 -1.533157 2.742155 0.7191263 -1.7581239 2.87649 2.6056004 1.1013767 0.11142324 0.6420711 -2.0013647 2.7811859 2.5568774 -2.946607 -1.4920367 -1.7395762 6.9670568 -2.9314268 -1.2821105 0.95263386 4.448666 0.45346332 2.233858 1.8885951 -3.5805507 -1.7802529 -3.5572996 -4.912109 -4.6531506 0.6554489 -0.8166266 1.6835641 -0.9435238 0.0683445 -1.7935343 2.34691 -2.349052 -0.11707784 -1.9037726 2.0010238 -0.7878375 2.576484 -0.40913826 1.2005112 -1.1103716 -0.88575196 -1.985577 4.562199 3.8116195 5.654771 2.8956409 -2.1483023 1.3352764 -1.2369001 -2.9776585 -0.5625045 1.7506537 -2.925107 4.287235 -0.75605303 -0.5557766 -6.736107 -0.81169856 1.0731575 0.9710236 0.8683058 -1.5097184 0.10603024 -6.580065 -0.03178069 -4.60169 -2.1362023 -2.8036397 -1.7870326 2.7884667 0.43465936 1.174618 -4.781972 2.199726 -0.7677485 -1.552555 -3.9601972 -3.8451462 -1.9306538 6.0210733 -3.3697357 3.67008 0.7618717 0.3619641 4.4327316 -0.022821477 -0.7958147 -4.318023 -0.52970827 7.339661 -4.5248704 1.008932 4.902745 1.0180318 0.036979802 4.2327285 1.1924107 -5.047965 -0.25255597 4.1156735 2.922214 -3.5588214 -6.2600856 -2.5277846 3.6275644 -1.745767 -0.045420796 -0.020782651 3.8498979 7.7396903 -2.9275138 -0.22445126 -0.07855485 -4.8723907 1.4909302 8.994203 -5.5193067 -9.676717 1.8756148 -1.7567499 -0.017477095 1.0959257 -1.481041 -0.40123278 -6.961571 0.6687902 -1.3437808 -3.0383983 -2.287873 4.256427 -1.469482 6.987005 2.3808281 -2.3566215 -3.7795875 -1.0801849 -2.5506933 4.695587 -0.49554628 3.868985 -3.6095634 2.6649816 -1.9300737 -5.7450037 -0.5929074 8.075627 -0.40176365 -4.0344043 -0.77384037 2.9995058 0.86725265 -6.4520173 1.7824302 -3.4252656 -0.3378039 6.8809195 -3.5903933 -1.1147287 -2.4874952 -5.03466 -2.2374141 3.5464053 0.26936647 -2.2751477 -1.2774905 1.7127173 -9.267234 1.5447235 1.7749348 0.846925 1.9348317 1.1015784 -1.8300879 6.287574 2.492847 -0.98071975 6.3678584 0.70821565 1.8793403 4.390704 1.5277414 -2.541238 2.24104 -1.4900513 -2.9473748 2.2108822 -7.7592926 -4.8529463 -4.859955 -5.481948 0.9794943 5.688574 -1.137169 1.4386004 -2.644741 2.0342321 7.73789 2.4502242 -1.1998758 -3.01753 -0.5782815 -2.708057 0.6181189 2.0629377 -1.126367 0.16681933 -4.309682 -2.6870122 0.035361797 -1.5309019 -1.8112485 2.8359025 0.05428415 -4.966257 2.6257067 1.4403617 4.7866163 3.9115567 -2.0706336 -3.8972516 0.4906122 2.963763 -2.7084167 0.65449864 -5.88521 -1.3584509 -1.4791689 -5.1775074 3.8666995 -5.3206997 -1.2638688 -3.3460531 0.6512606 0.4525536 4.6779537 2.6269436 -1.8862206 1.2925999 6.9094887 8.397623 -3.5074692 2.9559796 5.325846 0.1515705 -0.8673041 -5.4292665 -7.4243994 -3.853544 6.2409935 1.801384 -2.3352578 4.9409738 -1.1637185 3.5890508 -0.5656924 1.2487835 1.8263094 4.627017 -1.8793569 1.9880385 -2.037728 1.1011354 0.28587186 0.49053264 3.0084167 Phenanthrene is a polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.' It has a role as an environmental contaminant and a mouse metabolite. It is an ortho-fused polycyclic arene, an ortho-fused tricyclic hydrocarbon and a member of phenanthrenes.
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3082341 0.0015638918 2.4140308 -0.45247167 -0.07711767 -2.6263309 -6.031913 -2.074453 0.2505881 1.4631937 4.7736793 0.5450329 -1.2831471 -0.6019453 2.0959353 3.345831 -0.26504284 2.6662967 -1.2162389 -5.4848757 3.7483883 -2.5538409 -6.043448 -3.1156197 -0.53986686 -1.0978984 0.73390573 -0.27724844 1.9550426 -0.28217497 -3.342954 -1.2181976 -2.0369513 1.0817133 2.9323652 2.6440792 1.218057 -0.43005553 3.9148564 0.008531004 1.0520531 -2.2401361 2.4434872 4.1703954 -1.6744113 -0.015015304 -1.0742896 0.6131915 -0.6169583 -2.6124108 2.8339024 4.086212 -1.7655666 3.2703269 -0.0062307417 2.3769655 3.155406 -1.7341762 1.295336 -0.5393061 -0.28244606 4.102587 -3.1153252 -1.47562 3.5618646 -2.6745067 -0.29969853 0.8678372 3.1947591 -0.69389564 -0.62779415 -0.15353169 2.018595 -4.1591544 0.2739375 0.6502202 -1.3539357 -0.7569556 2.6071758 0.040766805 3.2481866 -1.2589889 -1.4925339 0.4951706 2.3530672 1.7645401 -3.6255481 1.1671375 -0.42150813 2.3163314 -0.58169156 1.0605798 -0.11088371 0.16342151 1.1388701 -0.43421847 1.0294017 -0.07705441 -0.078846425 -3.747952 -1.6034136 0.016873067 -1.6173021 -3.4993896 -0.69637424 3.7602649 -0.12621844 0.40413204 -2.048239 -1.2702881 1.1946361 -1.287195 0.022733215 -0.4340755 0.12352279 4.4341006 -0.87891126 0.9587697 0.3670472 2.283813 1.3299328 0.8645833 -0.13512112 -3.1757567 -0.75537723 2.4236147 -3.373238 3.1546555 2.334529 -2.7728212 2.3516753 1.3639688 2.4742446 -3.8725126 1.5043023 5.7494054 2.3336306 0.5635397 0.34971476 3.650972 3.0143132 -0.010441899 0.032429792 -0.41587925 1.1821077 4.418985 -3.4722557 -2.6205232 1.3798959 -1.3283147 0.7919523 1.8875854 -1.9340725 -4.4520226 1.0740855 -0.7149563 2.4037783 3.9434962 1.6405487 1.6983776 -1.345605 -2.3136132 -0.121154085 -1.172643 -0.35959923 0.7565143 -1.9838196 6.4891796 2.2171779 -5.030665 -1.1128255 0.8090933 2.2358215 2.5668697 -0.20500976 1.7487956 -0.40635863 2.7612138 1.6557105 -1.0953617 1.1094313 -0.03180968 -0.06311482 -4.1499267 -0.9323517 2.2221055 -0.69104517 -5.5098667 1.5564424 -0.21762669 0.3554925 4.141824 0.8868924 -0.1085639 -0.30082366 -0.16101108 0.8149668 4.6066837 0.5265235 1.1269822 0.73212767 -0.99855053 -2.7405236 1.5678205 3.6222217 0.40789947 -0.06237723 2.343361 -1.7970408 2.5857878 2.512689 0.2906025 2.0875778 -0.4458645 -1.8535014 2.090974 0.010159519 -2.4826293 0.48442906 1.4683838 -1.8517052 0.6993177 -1.9634154 -0.96566665 0.7619418 -2.884541 -2.3145394 -1.5090201 1.5277473 0.8110706 0.519158 2.3708162 3.0749283 0.798811 -1.476929 -0.6584016 0.49604276 1.6443806 0.042108 -3.2279353 -3.8098612 -0.73129195 -0.78547907 -2.5540729 1.182344 -1.0137627 -2.9842968 -1.3603961 -1.1580834 -3.5996838 -3.4854603 1.9449722 1.3098321 -0.54491234 2.0167966 1.8065743 1.6481099 1.4959378 -2.0173852 0.6868591 0.3716088 -3.2922273 -0.8449305 -2.3921647 -0.05501485 -1.823709 -2.191243 2.1514065 -1.5876603 0.49894595 -0.40065226 0.660205 0.9681318 -1.4182664 2.3624268 2.5091555 -0.4703643 0.29679045 1.7031183 -0.07151078 -0.35339645 -1.7004818 -0.6900352 0.3144039 1.5586174 1.7655232 -2.2665224 -1.6663128 0.94748294 1.3851781 1.7360824 1.020875 -2.2290146 4.933053 -0.70411766 -1.2139174 -4.007625 1.993223 -1.6641736 1.7792027 2.5132103 (1S,6R)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid is a cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid. It is a conjugate acid of a (1S,6R)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate. It is an enantiomer of a (1R,6S)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid.
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181610 4.201294 7.9763613 3.1724892 -5.8691173 4.9974456 -7.5125055 -3.3174114 5.6376514 -3.7969491 3.9832745 10.009942 -7.8556995 2.2413542 1.5142422 -0.78141004 -6.1673603 -0.7738708 4.2982426 -14.462397 1.7401227 -6.176496 -6.843402 -0.78484637 -9.136494 -6.4966393 5.767361 -1.1016483 10.838914 -6.716226 -9.9997635 -0.4700998 -6.4918575 -3.2169402 6.11209 8.91817 6.718952 -3.1259665 15.940053 -0.37200865 6.3683925 -5.0589433 -5.126962 -3.0341723 -6.2644677 -12.665118 1.4026645 2.1462307 1.4978156 -0.26169097 3.4869494 10.787287 0.908749 7.491549 3.328714 8.454755 -7.283047 2.0231435 -2.4926617 -4.033533 -5.2881975 -0.4784578 -11.037178 4.3167925 12.289377 3.010596 2.9936745 2.291657 -3.2829351 7.338545 -2.0921216 -0.57563716 2.2709808 -8.392915 6.310524 -1.4455442 2.042923 -8.035437 6.3112316 2.054428 5.32011 -5.5619025 -2.001431 -1.4804144 5.627755 1.2702125 -0.6050597 6.6150975 6.1413603 13.755393 -5.0046425 -0.4564777 4.923568 6.4918866 -1.1444196 -2.981588 2.097553 7.8388224 -1.0962172 7.5534115 5.558152 6.6296806 4.3937707 -3.843303 -1.1163433 -12.556115 2.4437728 1.8221977 -5.0725107 3.6527166 12.939787 -7.33821 0.5889278 -11.314924 -1.4559003 5.1348815 6.3628035 -2.5132687 3.3362741 5.992652 6.4963894 13.171799 0.7808541 -8.8467865 -0.59744215 4.643922 -21.228065 13.6099825 14.959528 2.4999535 10.886764 11.237212 -5.8588576 -7.378345 6.852559 9.526284 1.6578195 4.935734 3.422066 16.768547 3.5346167 -6.4852223 1.143258 -1.4993573 4.4608626 15.000526 -15.999903 -1.3263263 13.7645445 -9.54423 2.312962 5.137636 1.719908 -12.664416 1.425635 -4.995362 5.3492293 6.5919547 13.24389 18.098925 -3.0472543 -11.743351 4.8587203 -8.607895 -8.416767 9.3735895 -3.0135727 8.526609 10.723746 -8.104421 8.503433 9.835309 13.496748 0.19356152 2.9415374 -2.6316516 -1.3934402 19.67421 6.704382 -9.033712 -12.899588 2.014584 2.358472 -6.9341025 -2.7205548 7.580178 3.9249887 -4.7473063 3.462244 3.117485 6.8310404 6.148467 16.69029 -0.20915109 -1.898888 -0.5597224 -1.1496203 2.7564254 7.087091 1.9403102 1.9237909 -9.368195 -2.473364 3.766335 5.132147 4.4181194 -1.9778874 1.1502442 0.407929 2.5180795 5.3458633 -5.650792 -2.460041 2.453658 -7.223575 -2.5887957 2.4569192 -5.0617604 0.8168533 12.973979 -1.652001 -3.692574 6.2846146 -7.0159683 4.5524244 -17.279938 -1.1587845 -6.099786 0.9902286 -3.773661 4.1091433 4.9881587 5.634724 -5.5585313 -8.626719 4.2463727 1.8506168 13.879335 -1.5808964 -7.163379 -0.6281248 0.38315144 0.5749846 4.407648 -4.69172 5.414132 0.5767225 1.5417747 -0.36801594 -1.8541952 5.928973 4.409658 2.930451 0.74036443 -0.75936913 1.849442 -1.1834581 5.59214 -7.4642205 -5.194501 -4.9730983 5.2017746 -6.186316 -0.39382437 -6.9849067 11.21008 -0.10320422 0.21966252 -5.2346973 7.5566144 -4.442908 -4.701714 -1.5763766 6.547761 1.9038453 6.6635075 11.977848 -3.1379833 -7.776071 6.291848 -3.037208 -1.5815555 -2.9064016 -5.4172006 -0.5477359 9.193128 2.9936638 4.7692933 -5.1340313 5.137077 1.9493084 11.828308 4.25248 8.630593 -4.445862 7.153854 -9.89654 -1.4879441 3.9473767 4.9040613 7.336257 1,2-diheptanoyl-sn-glycero-3-phosphocholine is a phosphatidylcholine 14:0 in which both acyl groups are specified as heptanoyl. It has a role as a detergent. It derives from a heptanoic acid.
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5281943 -2.6006355 3.3731973 -2.9641478 -5.83224 -2.462376 -7.7559423 -7.8404465 4.855075 -2.6509035 4.603961 9.343468 -9.00363 2.761586 12.197682 8.38388 -4.513445 6.7304826 -0.31713527 -15.092606 0.64348865 -3.1930087 -5.7919555 -1.1023034 -8.919918 1.0909034 -2.7055218 -0.114816695 12.995136 -4.722566 -4.778217 -2.6476932 -1.1030031 5.009499 2.4258268 3.489916 6.337978 1.7867829 2.9906096 2.2831469 -1.8193306 1.5812477 -0.36603874 -0.79548335 -9.677223 -1.9447132 -0.37219217 8.473579 -3.652068 1.3321173 8.43186 9.083641 -1.914071 6.0630646 7.9978027 0.1429011 0.29602128 -7.3884463 -6.814572 -5.1489825 -3.3295007 0.34274134 -4.617579 -1.19398 5.4607153 -2.6660879 2.5832334 1.5631918 0.94642824 1.6745644 4.845345 5.292614 0.44351828 -6.169018 1.575325 -3.5584533 -2.9790425 -8.653992 10.423992 8.288328 4.4390693 -1.2211089 -3.9749243 -0.11159573 2.075168 0.63923395 -0.9997748 1.1065482 -4.284412 10.322014 -3.5278091 -1.7479272 -6.1564503 3.68448 -0.22860432 1.8426223 0.76322204 2.3938673 0.60732096 -3.961329 -0.9710364 -0.5161633 -7.0859156 -9.46765 -3.8729038 2.983898 3.4705908 0.068849385 -3.913532 4.587149 -0.8946042 -4.9037476 -1.2177839 -7.378271 -2.1027598 5.119571 -6.4881477 -0.4487145 0.33631465 4.9066515 12.205424 6.614622 1.0260503 0.1286685 -1.2883034 8.204919 -11.509956 6.8531003 8.094964 -4.3896646 4.1595798 5.954871 0.9224305 -11.188163 3.5533104 12.880232 4.3087215 -3.6757977 -3.0233083 9.5123625 11.311825 -6.3703785 -2.9998772 -2.3173327 9.087173 12.326846 -14.56979 -1.327231 0.5321204 -11.790275 0.871834 6.664645 -4.6698523 -20.156816 5.5567627 -2.163413 0.34338027 6.478462 5.480568 5.8192806 -10.844604 -7.629438 2.5656223 -2.4726262 -7.609882 10.025404 -3.2013545 10.297689 8.358382 -4.7985773 -3.2601461 1.0414224 5.9807897 5.6821685 0.014266923 -0.67211413 -2.8582418 9.464135 4.104706 -7.012713 0.026356846 5.912022 -2.0339584 -11.508529 -3.5191722 6.8013763 -0.3823493 -8.892695 4.2813387 -0.49670023 1.7368892 5.9979353 3.585308 1.7435708 -1.5919276 -5.939878 -0.68979245 6.3856015 -1.1511031 -1.2658219 0.47243828 1.3561659 -8.9381 2.9061024 4.8999543 -2.1001024 -1.0394951 1.4670334 -4.939364 5.9554667 1.841914 -5.18437 8.573773 1.1434196 -3.107964 5.917396 0.88295287 0.66251206 4.1704655 1.1874897 -4.434825 1.3184379 -4.3484554 -7.978369 -1.1724521 -10.7880125 2.3756788 6.598484 -2.7315464 2.2474272 -4.250157 4.007861 9.511038 1.7211522 -4.363588 -2.4832685 -0.47905844 -1.4833481 -1.9088317 -1.9802612 -5.7772 -0.06914587 -4.718713 -5.795341 -1.9769926 -0.1956598 -0.4331184 4.387734 -0.23255283 -5.2645497 5.3030972 2.1694288 5.9518843 4.444321 0.18512066 -3.162888 -2.4331255 5.67838 -7.5223737 0.3470792 -8.335788 -0.92761683 -8.858531 -7.727876 5.0020323 -8.261772 3.2769132 -0.11711777 3.0388374 2.8620706 5.306019 2.5534558 -4.296763 2.122229 12.972829 8.964251 -0.016759917 4.0058494 7.13489 3.3309283 -1.5549505 -13.496095 -2.0147088 -8.127107 5.715741 7.1814747 -4.569071 3.305138 -0.42775613 11.52075 4.6142597 4.2354784 2.916697 8.326932 -0.6880698 2.311753 -5.636565 2.8032584 0.24570665 2.256858 4.1490073 6-geranylchrysin is a dihydroxyflavone that is chrysin substituted by a geranyl group at position 6. It is a 7-hydroxyflavonol and a dihydroxyflavone. It derives from a chrysin.
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23615494 5.5253453 10.525228 2.1946173 -7.981912 -2.9084024 -7.9608183 -6.3309894 4.5457754 -8.767061 7.2135725 9.800716 -7.3112288 3.1679845 3.1749465 1.653218 -5.7253423 4.4957438 4.4142375 -14.073456 4.709478 -5.326859 -6.3921056 -3.0892618 -10.780898 -6.9803324 6.254676 6.9451647 12.182582 -6.021537 -7.40431 -1.2279071 -5.056922 -3.699459 5.735352 13.971272 7.483531 -0.36370265 7.208744 -1.7829955 5.474443 0.54957056 -6.877568 0.21830173 0.881612 -8.371295 4.639182 -1.2670852 2.032534 -3.2085345 2.7513475 7.569396 5.475186 5.469488 5.2552786 1.3082124 -4.5027084 -1.3724604 1.3927218 1.9327023 -5.319865 0.61998296 -8.184625 -0.17666242 8.591708 2.649573 0.27905047 3.339802 -0.75908524 4.2397747 -8.510333 6.44945 0.41290525 -6.641683 1.2818025 -3.64696 2.1476912 -5.7037106 7.4508643 2.7849598 3.9522023 -5.3868113 -0.59359694 1.8315146 8.416192 1.7147593 -2.5125835 -2.2425437 0.33750787 10.236069 -4.5052934 2.90164 2.6316712 6.5039597 -1.981088 -1.5542629 2.278778 -1.491193 0.22449279 -1.4938354 3.5167615 5.766064 0.77510977 -6.9427586 -3.9291945 -5.259103 5.44861 -3.2206388 3.469163 4.4035764 5.5265713 -6.2573967 -0.39567977 -10.855309 -4.7513323 0.3395161 -0.91311 -6.9469585 6.4321146 5.3851624 10.902736 12.65701 0.49045053 0.57439274 2.3812914 6.367423 -15.44794 9.022907 11.720537 -5.254036 6.185303 9.959664 -4.7985783 -4.4177685 1.966801 8.097211 -6.3207254 2.0546236 -0.27357572 13.885621 1.8272803 -2.988562 1.3533717 3.7258606 7.0447054 9.452784 -14.699093 -4.038866 8.037982 -6.495212 -1.0932202 -0.68127894 -2.565823 -9.846898 3.6159103 0.054540545 -0.73591375 0.8931246 9.5298195 13.285706 -1.1735605 -10.814043 7.547163 0.3720997 -6.180501 8.427259 -0.04177729 4.616438 8.810522 -2.5399756 5.5977817 -1.4606266 10.38807 -1.3167452 1.6515263 -3.5624344 2.5629127 12.536769 4.81292 -6.060757 -8.142458 2.9835918 1.2493865 -9.459195 -0.3866281 5.533067 3.6819198 -4.63016 -1.6834147 4.066388 7.2665315 4.5605807 12.500028 0.5497152 -3.1689167 3.0357933 6.778369 6.554652 3.111438 5.862565 1.2167414 0.5437118 1.7983447 2.1373098 0.697538 3.4786162 -5.0437646 1.1349071 -5.328577 5.431623 -2.0189884 -0.34153932 2.5823143 5.9864726 -7.6592956 3.381507 -3.960526 -1.2746549 -5.603597 6.485935 -3.8648524 -2.0856369 7.2524943 -4.0360956 4.801977 -14.581462 2.7656689 -7.195403 1.3183537 -3.6770284 6.658966 2.6563478 2.3591185 0.19120951 -3.4510396 4.024741 -4.3143897 6.3459873 -4.2454333 -6.242685 -7.872978 -3.3564277 -2.8348823 1.4342737 -6.356768 3.668595 6.2642612 -4.2522826 -0.4800151 -4.7972226 8.438967 8.465122 2.3151815 0.71669734 3.911093 2.0891824 -6.322262 9.864886 -2.6417549 -8.528147 -4.5947866 5.002157 -6.657181 -2.5752974 -3.8888824 2.6840036 4.607866 9.515008 -2.4882488 8.295605 -3.067742 -4.095527 -1.681942 0.5505185 2.026231 2.4415479 11.974265 0.36006054 1.4405519 5.390664 -4.5002165 -8.100486 5.4575944 -4.246748 1.7080002 9.002606 4.1611834 -0.25902605 -1.0208336 8.411794 7.1297617 6.7438564 2.8619454 4.7821555 -2.1124997 0.75659597 -2.827209 0.87560666 2.5864003 4.8939424 2.4090357 20-hydroxy-leukotriene B4(1-) is conjugate base of 20-hydroxy-leukotriene B4 arising from deprotonation of the carboxylic acid function. It has a role as a human metabolite. It is a conjugate base of a 20-hydroxy-leukotriene B4.
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76839 1.1019117 3.2037623 0.4510266 -0.31812286 0.89005935 -2.0162435 0.60100377 2.2149963 -0.8730919 2.020255 2.9273632 -2.8174407 0.108356 1.0020216 -0.5670359 -0.83193827 0.43754828 0.34962454 -4.0768843 1.9044082 -2.7412083 -2.447643 -2.0279858 -1.9677548 -1.9504197 1.2949084 -0.5416966 1.9106624 -1.4018581 -1.5235745 -0.52751553 -0.22289199 0.5659194 1.8383162 2.4490485 1.5608087 -0.00022612512 2.884401 -0.26778993 1.0027571 -1.7902055 -0.79378647 -1.015694 -1.1369326 -3.3426003 1.240759 1.3466188 -0.39834392 -0.04733102 0.19479114 2.5129557 0.09218515 1.1175749 1.7825978 2.1439376 -1.3552701 0.68047655 -0.8122223 -1.68244 -1.7080238 -0.067096494 -2.660302 2.4078884 4.2988625 0.8569541 0.98814034 -0.44545573 -0.40474826 1.3154439 0.15467149 0.03400816 0.5474483 -3.6971045 1.5179704 0.41034466 0.1899591 -1.1469395 1.6196846 0.15853627 0.024912238 -0.80953443 -0.96441007 -0.46345794 0.8748594 -0.77768946 -0.61774033 2.5572238 0.97446936 3.0635405 -0.9977944 -0.07303582 0.8549509 1.2903327 -0.33635202 -0.88811857 0.5233691 2.6393554 -0.7294298 2.6794522 0.70949423 2.4177911 2.1102617 -2.4017494 -0.39983863 -1.9812495 0.021158442 0.8104383 0.65600103 1.2361652 3.2350073 -2.4906423 -0.5168973 -1.3399092 -0.2310999 1.0902584 -0.2156111 -0.4296465 -0.015441716 1.5262618 1.4029915 2.8907447 0.92357683 -4.4915066 -0.17392673 0.4467684 -2.6708136 2.9769306 2.7506084 0.16165909 2.5890317 2.767483 0.14800362 -2.739846 2.1405382 3.5778162 -0.2975934 2.8488898 0.4608365 4.4557033 1.2595985 -0.8203206 0.64845645 -0.4698031 1.6508112 3.6967363 -4.03279 -1.1302364 4.1143045 -2.6346915 1.7905421 2.070272 0.45518702 -4.101771 0.28459597 -1.2143443 1.6232083 3.3677225 3.3884525 3.5993228 -0.98882776 -2.1989894 0.7532953 -3.658327 -1.2213919 1.5926106 -1.4555099 3.8991513 1.5370435 -2.2186623 0.55750376 1.8349378 3.224102 1.3473147 -0.10730003 -0.88388157 -0.59969807 5.09796 1.6541682 -0.6622059 -1.610358 -0.5732188 -0.15900159 -1.7178895 -0.09407933 2.8277147 0.64911795 0.61047816 -0.49066836 0.9768306 0.06702593 1.4331467 4.196774 0.71075153 -1.0278993 -0.702055 1.4849602 1.4283681 0.5823219 -0.96248037 -0.17735569 -2.4805675 -1.5302984 2.4096856 2.0595543 1.0939813 0.27363452 -0.13973194 0.64272434 1.3173652 2.6847262 -0.48999575 0.45660082 0.6850778 -0.9891411 0.16488104 0.084987074 -1.6336862 0.9340732 3.2406452 -0.69175935 -2.2675686 0.08523716 -0.95745045 2.219483 -3.3053632 -1.035791 -1.4155116 -0.052657194 -1.4312187 -0.39878452 0.25183535 1.3133234 -1.414813 -0.21951677 -0.51950777 0.0043096393 2.492413 -0.9084348 -1.1084913 -0.19903944 0.171856 -0.021255411 0.4453407 -0.2978313 2.256402 -0.4573572 -0.22922689 -0.5690627 -0.22990006 0.5714502 1.4573776 0.092170864 0.04019165 0.8627547 0.68484825 -0.034048244 0.65250987 -2.6345022 -1.15296 -0.00996384 0.38971025 -1.1034737 -0.7356577 -1.1075256 2.3303945 -0.24073087 1.699167 -1.8926979 1.6786283 -0.9475143 -0.27201402 0.49046895 1.7238455 -2.0232284 1.9167024 2.4323254 -0.6528218 -2.5711932 1.1534691 -0.080990694 0.48834532 -1.8418955 -2.2208436 -0.38113382 2.2601905 -0.9538994 1.4014243 -1.1084597 0.86077464 0.43469593 1.9451412 -1.2622254 1.6068836 -1.3629886 0.68141025 -2.143122 -0.97860175 1.3166969 1.744868 1.7741038 Butylphosphonic acid is a member of the class of phosphonic acids that is phosphonic acid having a butyl group attached to the phosphorous atom.
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