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21133358 -0.8243499 0.72166246 0.97121376 -2.5105717 1.2065771 -1.8468717 -0.44958198 1.767 -0.671242 2.2366018 2.6693351 -1.3225495 0.4931554 -2.1809227 0.0125697255 -1.9902667 -1.0357039 -0.31573057 -2.3810112 0.37212524 -2.4940927 -2.4033089 -2.5416877 -3.4962656 -0.31511262 1.7931778 1.9299636 1.6414499 -1.1358818 -2.182316 0.038490094 -2.4657938 -0.25909182 1.7902051 1.4585782 1.9547775 -0.3847511 3.3389864 0.88126147 1.9062496 -0.8625246 -2.2272255 -0.8175395 -0.6185807 -2.3674273 0.40838265 0.4137581 1.2959266 -0.9913463 3.1424153 2.737044 -0.082580194 2.3511658 1.7933594 2.2303689 -1.9033422 1.5684706 0.45033416 -0.22392699 -0.8522669 0.8361485 -0.76213306 1.8895903 1.3347133 -0.61871326 0.7923056 0.85974526 -0.5286784 0.6135001 0.0857237 0.13230605 0.8140126 -2.4695425 0.54247624 -0.95906544 -0.1694757 -2.1708822 0.29696462 0.65391004 1.2686977 -2.941006 -1.9430829 -0.9191989 1.8894949 1.3780291 -1.3886824 1.371124 1.1241242 2.3907106 0.4428687 -0.13581838 1.8864479 0.53438413 1.5443459 -1.2028828 -0.63775325 1.1182815 -0.16691253 0.25748056 0.08057511 1.2706331 1.2920763 -1.4143494 -0.7644502 -0.75501186 0.023140676 -0.18618307 -0.980529 1.03109 2.5998294 -2.4542549 -0.5301666 -2.1947684 0.5814454 2.320491 -0.97260725 0.19789416 0.763657 0.7336634 2.2381334 2.5436285 0.2918378 -1.9290442 -0.7459073 0.75348794 -3.719887 3.1008954 2.2484994 0.10357796 2.458158 2.5427964 0.36021256 -2.1055636 2.3651125 1.4487187 -0.3293934 0.31115595 0.08908534 5.719447 1.3821179 -0.9154978 -0.66952235 0.827956 2.9853094 2.813069 -4.008658 -0.029170558 3.2888842 -2.9458058 0.56070924 0.6721762 0.96554965 -2.0751512 0.91452384 -0.03043054 -0.04905383 3.3963058 2.0886981 3.9470248 -0.79111373 -3.5416183 0.039935164 -1.7870363 -2.153495 2.4245555 -1.5469072 1.76182 2.2671146 -3.7111557 2.095233 1.099454 2.4866786 0.23166317 -0.01551567 0.22956802 -1.3520151 4.208271 3.035109 -2.8999085 -4.150513 1.4460955 0.29272947 -1.0515764 0.9382091 1.3536335 0.7938716 -0.90486 0.23363113 1.3745779 1.5709033 1.871404 3.6522913 -0.7422816 0.015706284 -1.7181878 0.7209575 0.34745085 1.5690597 1.7896675 0.6391645 -2.667052 -0.82003784 1.0507631 2.40351 -1.1534432 -1.2159439 0.994611 0.9603646 0.28619006 1.5862749 -1.0115074 0.04735267 0.6716182 -2.0842426 -0.025375936 0.64232856 -2.0810385 -0.3537176 1.7032315 0.07371618 0.34914684 3.0533493 -1.6859953 1.7072073 -2.5538917 0.19997454 -1.0676284 1.3514478 -1.6935064 1.7119958 -1.5142341 0.7966763 -2.3664994 -1.3831015 1.3625085 0.61008406 1.9480617 -0.080430046 -0.4198217 1.0391495 1.8505913 1.5533843 0.7954441 -1.1184357 0.8490354 -0.7817501 -0.18969221 -0.19257143 -1.8663937 1.8914528 2.5273013 0.27175137 0.6935487 0.91700673 -0.61340255 -0.9360683 1.45029 -3.085442 0.4696671 -0.70784014 0.90333635 -1.8330812 -0.4303925 -1.1716874 0.899205 0.27974218 0.9470415 1.1792259 3.3935838 -0.74823576 -1.3527597 0.43987957 1.612376 1.3295301 2.085527 -0.48896527 -0.48859698 -0.6726699 0.42351115 0.20670229 -1.3266829 0.07412332 -0.97423744 -0.3087439 3.3498006 -0.7353871 -0.054984163 0.70250106 2.18582 0.21658836 3.9301834 -0.46761715 1.6838126 -0.5754637 0.25659686 -3.8259585 0.3074144 0.08449214 2.2329562 0.98601717 N-monoacetylalkane-alpha,omega-diamine(1+) is an organic cation obtained by protonation of the free amino group of any N-monoacetylalkane-alpha,omega-diamine; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a N-monoacetylalkane-alpha,omega-diamine. |
21145142 0.838214 5.9690814 -0.091010705 -0.63956773 -1.2947289 -7.0881095 0.54827356 3.095389 0.36278826 2.419424 2.403749 -3.0648386 0.23856026 -0.16346571 -0.569299 -1.0122983 1.2974081 0.15235671 -7.5068736 4.2249465 -3.6856546 -5.3235765 -3.194543 -3.5646157 -4.0403075 0.8257319 1.4715445 3.0263875 -2.251728 -3.1109889 -1.299804 -0.75950086 0.62552327 3.2483344 3.5045214 3.2280834 0.4477085 3.412258 -0.20216729 2.354115 -2.746293 1.7129402 -1.4860835 -2.0703526 -4.5742736 1.3092123 1.2963588 0.36398458 -1.7845583 1.4481807 4.8397417 0.96103215 1.5802926 2.7047746 4.138398 -0.15970686 -0.03377928 0.28266865 -1.6129009 -2.6648083 0.46714342 -3.4702783 3.4951985 4.862669 -2.453137 1.9486309 2.2162511 -0.07274288 2.2533813 1.5034916 1.5648931 4.094597 -5.014975 1.2707597 -0.78329843 -0.44130176 -4.3383946 1.3169224 0.99074996 2.8436093 -1.7845927 -2.9619792 -0.67826235 0.99020994 0.43747267 -2.3858635 2.391091 2.3877192 3.8244658 -0.5141967 -0.7413442 -0.9717414 1.071135 1.4255797 -1.3376757 1.6677272 3.8049207 -2.1759555 -0.2349757 -0.24206793 3.8883753 1.5442078 -4.1440873 -3.255209 -1.0066003 -2.2044692 -1.796673 0.7913348 0.95539236 3.050845 -1.7570741 -2.5878742 -2.6341448 0.4213692 2.5084374 -0.6839369 -0.48745817 1.4085692 1.8970709 2.4028323 2.2842362 0.7278214 -6.209501 -0.686109 0.97277313 -2.6461375 5.4301248 5.4443893 -1.3266766 2.730653 3.3470418 1.7596958 -4.9655814 3.692074 6.51326 -0.13976501 1.8664216 -0.30406415 7.6568394 1.8387967 -0.6929647 -0.35902575 -1.2029393 3.5609066 6.714494 -6.736529 -1.3367 4.734124 -2.7513008 1.9405426 2.7822354 0.18514748 -5.742841 0.0834964 0.7597256 2.435362 6.3058295 4.536202 5.07581 -1.7382423 -4.9687815 1.1263275 -3.27972 -1.7133017 1.047746 -2.8677955 7.8717356 1.5338855 -4.0820475 -0.10432995 1.3341166 4.624001 3.3250809 -1.1281395 -1.2680206 -0.98976445 7.436871 4.2298346 -0.540309 -3.1771088 0.51994705 -1.5214142 -4.475533 0.8695345 3.1516075 0.979884 -0.38243017 -0.48718646 1.443999 0.4016287 3.2805445 4.6893964 2.683561 -2.221308 -0.8576296 2.2505686 3.6194046 0.90482885 -1.8707606 -1.3940928 -4.374531 -0.91372454 3.3215356 3.13728 1.1587776 0.34880194 0.8489821 1.0981702 3.149802 3.9028873 2.4384406 -0.08164284 -0.30738962 -0.460924 1.5687969 1.0534772 -3.1826398 0.7735892 5.817425 -0.4786369 -2.3910809 0.98949844 -1.7289395 3.3831286 -4.4659743 -1.4898813 -2.1620388 2.984168 -1.9750772 1.4188497 1.1013763 3.1981294 -2.6158743 0.07231383 0.050938107 -1.0812198 2.792892 -1.4765704 -3.1369534 -1.8686491 0.4364677 0.9922184 0.104713954 -1.1089971 3.6954029 -2.1077368 -2.3759527 -0.89688104 -0.5293914 0.22003843 3.1090057 0.9401598 -0.6335667 1.4682946 -0.7005101 0.25952712 1.0791441 -4.0850334 0.009709468 0.8589641 -0.05082891 -3.1823866 -0.04683408 -1.5594093 1.1435586 -0.54996186 2.8032284 -0.77946717 1.7554126 -3.65781 -0.05867511 1.8257356 1.3155884 -1.5092775 4.3740835 3.570582 -2.1977262 -4.4845085 -0.48799235 0.43249315 0.29004705 -0.9767688 -1.1727934 -0.3632916 2.5314417 -2.9754543 1.022112 0.041274257 2.0744398 -0.16979659 3.7284906 -3.0939624 2.7547262 -3.0299768 -0.23627652 -2.7532067 -1.5837854 0.81094396 4.3537183 2.7212095 (R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid is a 2-oxo monocarboxylic acid that is 2-oxobutanoic acid which is substituted by a phosphonooxy group at position 4 and a hydroxy group at the 3-pro-R position. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a 2-oxo monocarboxylic acid, a 3-hydroxy monocarboxylic acid, a carboxyalkyl phosphate, an oxoalkyl phosphate, a hydroxyalkyl phosphate and a secondary alpha-hydroxy ketone. It derives from a butyric acid. It is a conjugate acid of a (R)-3-hydroxy-2-oxo-4-(phosphonatoooxy)butanoate. |
20839325 2.3158953 6.8491964 0.60643023 -5.9655247 -2.6842585 -5.3270364 -4.961519 1.6105841 -8.556378 6.393942 10.272438 -6.8919272 3.8022134 1.6874127 1.3407471 -3.0106666 4.4377174 4.943872 -11.157947 2.4318643 -1.1646304 -2.1774676 0.06656587 -9.365167 -4.9968424 4.9389772 2.1021848 11.357317 -4.8531036 -5.919878 -0.008924365 -5.140398 -3.353259 4.964598 12.535821 7.913787 -0.878617 9.053701 -1.1810262 5.8777957 1.6755575 -8.611648 -2.2435608 -1.9079024 -8.829655 2.90032 -0.10929431 2.095454 -2.8317447 4.942694 7.7709756 5.4385934 7.124468 6.035017 2.516139 -5.116299 -0.78977907 1.3120047 1.1427515 -4.829731 0.28925756 -10.191747 0.120580375 12.384412 2.0688813 1.1734271 2.8839726 -0.016467124 4.185459 -8.847079 4.4565744 -0.28387898 -4.6352973 1.7375073 -1.7179604 2.6760902 -3.2272432 8.188835 4.6736836 3.2848883 -4.573312 0.5052669 2.4691427 10.271629 2.3858023 -2.1733785 -1.2169268 0.41323525 10.86635 -7.9576597 0.9950819 2.3793392 7.8633747 -2.4655871 -1.9390037 -0.25889224 -1.1820202 0.7725369 0.8755264 3.9914813 4.084743 0.91303676 -5.880468 -2.3722417 -6.820828 5.1878757 -2.0774727 1.8402153 4.216056 6.5531416 -4.76071 0.5227169 -10.915002 -4.4460244 -1.5503958 1.3944616 -7.028473 7.660795 5.6679716 9.450666 12.206997 1.4408734 2.7032204 1.1932423 7.5382047 -16.936613 8.642737 13.262283 -6.1761684 8.856025 10.094123 -7.189411 -4.567123 1.6689973 7.6900206 -4.779898 2.396014 0.42629734 12.406372 3.3640523 -3.629492 0.23311499 2.5227003 5.059542 8.457189 -15.558264 -4.1309056 8.960422 -7.8880444 -0.82412803 -1.0542195 -2.9313955 -10.845564 3.2409883 -1.7216084 1.6268901 0.96870697 8.516539 13.366803 -3.1598973 -10.642367 5.6541276 -0.87200177 -5.522153 8.130143 0.7599865 3.1340127 9.474068 -2.976375 5.2893744 -0.13690612 6.9031734 -0.17253745 3.026539 -0.79625595 1.6851526 11.676025 3.4252036 -7.752147 -6.0800357 0.7737911 1.6057355 -4.9297733 0.49614936 7.7363806 3.1784463 -4.1528482 -1.1432662 4.619228 7.463043 2.6081924 10.840011 0.65736854 -2.69014 2.5123966 5.2800536 6.382736 4.5840487 5.885291 2.2600553 -1.1349443 2.5580604 2.5154655 0.6083358 3.2478557 -5.5194793 1.0933944 -4.44076 3.3348756 -2.166531 -2.650612 2.869677 5.712925 -9.15545 4.0723133 -3.9656534 0.22970918 -6.057962 6.751447 -4.3782406 -4.0265365 9.408917 -5.824375 4.2959037 -16.076288 4.740881 -7.5407786 -0.30724978 -4.983745 5.868011 5.0249553 1.9583127 -1.7409093 -5.2115316 3.2291994 -0.44077733 9.618252 -2.4593387 -7.6686015 -6.004813 -3.1778326 -0.70810384 1.5752728 -1.839481 0.8722122 3.9083986 -2.7421455 -0.024831887 -4.703812 11.015509 9.0954685 1.235811 -1.5081397 2.8989723 3.540751 -5.4020143 10.027824 -3.1036842 -7.9312563 -4.468178 4.2639537 -5.1364536 -3.6037068 -3.115746 2.0429602 2.734295 7.342868 -4.326377 7.9951143 -3.2702956 -4.8047276 -1.9713944 -0.51763815 2.6477757 -0.4345646 12.402627 -0.9524138 1.4599229 6.3117003 -5.299818 -7.819832 6.1942472 -2.688488 1.7636296 7.4526772 6.8052917 0.22659427 -3.9543862 7.261716 7.1972466 5.102007 1.1417762 5.599825 -2.2210996 3.027587 -2.7443411 2.5825412 1.023082 1.5570831 2.1760523 19-HETE is a HETE that consists of arachidonic acid bearing a hydroxy substituent at position 19. It derives from an icosa-5,8,11,14-tetraenoic acid and an arachidonic acid. It is a conjugate acid of a 19-HETE(1-). |
6101544 0.5951063 3.9404383 3.5052636 -3.105646 -1.3759862 -5.1018443 0.37991822 1.8205428 0.549315 1.7914598 4.8937006 -2.3647978 -2.4282978 0.72859323 -0.19974753 -1.945132 -0.94127876 -0.06259143 -6.112456 2.6228986 -4.883974 -3.292633 -3.0943182 -1.674933 -2.85364 1.0736749 -0.32664433 1.6475604 -0.770983 -2.418538 -0.26114 -2.7363994 -0.71149766 1.4218556 4.7996793 2.4765806 -0.59045506 3.2841241 -0.5788859 1.3359549 -3.301343 -1.5910896 -1.7874407 -2.3513565 -2.0547569 1.9895018 1.6977192 1.354702 -2.6835632 1.753742 5.4401774 -0.6036861 2.79234 1.0167521 3.4981592 -1.0435966 0.81345755 0.6002842 -3.3754153 -1.9978641 1.5693269 -2.5442252 2.4321313 2.130006 0.2336084 1.4036552 2.3287048 0.17662942 1.1825839 -1.0658047 -0.27653736 2.5834305 -3.6744711 0.17874187 -2.0739138 -0.37937614 -3.2488923 1.948719 0.53457206 0.7214926 -1.8656564 -3.1402407 -1.8246206 -0.39825892 0.59587693 -0.9820054 3.6583679 4.142189 4.5267305 0.85832024 -0.23334265 -1.4269116 -0.7509177 -1.0740036 -1.3809353 2.4283624 3.666769 0.7767848 1.3771936 0.06724012 4.0585995 0.954291 -2.6748967 -1.9749696 -2.9026282 -2.097945 -0.95807457 1.5131027 2.4516811 2.6000853 -4.050427 -1.3189683 -0.31849873 -0.937456 4.0312257 0.7852169 -2.1667354 -1.7081065 1.7836716 1.0102763 5.0541444 -0.24706279 -6.801238 -0.23280254 0.46860445 -4.0094447 4.348647 5.0616937 -0.41328123 2.0550458 1.3196458 0.9740281 -2.8004448 2.269901 4.4773865 0.37124804 3.4169333 -0.5277126 6.4425898 0.7363746 -2.048852 -0.13391721 0.92013997 2.8256273 6.3084903 -4.4082193 -0.77112997 5.947034 -1.6040882 0.8941917 2.5541222 1.4647512 -5.336023 -1.3420292 0.32651678 1.8728484 4.61437 3.5549827 4.1120043 -0.41329753 -2.1789756 0.7010062 -3.0175395 -1.7948495 1.7891091 -2.6770213 5.7051063 0.36528647 -3.9761965 2.3495312 3.280658 3.2542965 1.3926256 -1.9013835 -0.9582981 -0.832026 6.1675863 3.613514 1.1076899 -2.8168926 -1.7136159 -0.011990175 -2.8904145 -0.036434025 -0.3728075 -0.48304254 1.3491092 0.44311756 2.7924025 0.45084417 2.0142725 5.5758715 0.67961484 0.75132185 -2.5282786 1.1079295 3.2321262 0.26324835 -1.4395734 -0.3592216 -2.7230556 -0.929026 3.7071488 5.133105 1.9410857 0.14913023 -0.27252072 0.85240173 2.3427334 3.8500607 -1.0556307 -0.035175994 -1.4983125 -0.28371483 -1.2507071 0.03618121 -0.8315229 2.0303338 5.2116117 0.30370334 -0.8603989 -1.4633745 -0.82703215 4.2242346 -3.2637093 -3.1951852 -0.6442805 0.83905244 -1.01542 0.12440254 0.56721 2.8932312 -1.0539459 0.6163266 0.77400535 -2.0566094 3.5295398 -0.9162171 -2.2195656 -0.9006621 1.8284324 -1.1074471 -0.40507793 -2.2508512 5.427419 1.0918688 -1.4438295 0.7798691 -0.05007596 1.036757 2.0501513 1.0685277 0.70108217 0.3711509 1.2791544 -1.2288101 0.35290664 -3.787945 0.28529322 1.4841512 0.0933749 -1.180661 3.1203437 0.29825884 2.4970384 -1.107682 0.374064 0.09209186 2.6238956 -2.0011568 0.8983581 1.8786784 2.1089647 -0.517339 5.5510287 5.0287943 1.6800292 -4.065457 0.33158335 1.2344064 1.9341805 -2.3375585 -3.1002622 -1.0316896 4.795145 -2.251021 -0.22652924 -1.2537096 1.5876613 0.59211683 4.6807914 -0.3915969 3.72609 -3.3770945 0.7263308 -3.7790616 -3.1793864 1.6496671 4.284365 1.7486144 Sodium glycerol 2-phosphate is an organic sodium salt that is the disodium salt of glycerol 2-phosphate. It contains a glycerol 2-phosphate(2-). |
121596214 2.0392146 3.7233772 -2.084193 -4.9497995 -1.7127755 -3.9099784 -5.4466004 1.7108723 -2.4603364 5.7475114 5.1407375 -6.9107633 1.838067 11.14882 4.3399796 0.04787503 6.6962676 -1.6378593 -8.634268 5.108609 -5.852611 -7.4221644 -3.2860491 -7.354291 -1.8168285 0.988314 1.676856 10.918944 -1.6652653 -2.781801 0.44892663 -1.6207087 0.009769052 4.1774664 4.689869 1.9025661 0.55438733 4.684098 -1.3266097 0.31814772 -2.9939718 -0.6330094 4.1481404 -3.974696 0.49126175 -3.0234096 4.2257915 -3.2510953 1.3547525 8.55339 6.368428 -1.4894234 3.8459554 2.9995327 2.5798888 2.360305 -2.2942948 0.5317995 -1.6594791 -0.9673838 -1.1705512 -5.925887 -0.9769565 7.0781527 1.0319306 0.13969728 0.94359195 0.6906639 1.0047365 1.6003885 2.582758 1.9254477 -4.0034084 -0.6361809 -1.1652652 -3.9089613 -5.4011016 8.577743 7.2249837 4.887226 -3.4452536 -1.6526893 1.5883393 3.4012368 2.978047 -3.7592585 3.2493076 -2.5553646 12.605284 -4.0415597 0.2844535 -0.5240486 -0.5721918 0.8257692 -0.2812661 2.3298748 0.52820235 1.0006679 -3.3774288 0.017195784 4.7821836 -7.005774 -8.748824 -2.0466871 3.567553 1.450036 -3.5644999 -2.596836 0.003578499 2.3742743 -4.3818283 -1.1649778 -2.9914503 0.14679044 4.4399176 -5.4853697 0.72872794 0.49222592 5.330575 6.406621 4.3724847 1.9051726 -3.4876618 -2.5430212 5.834437 -9.148667 6.347256 5.8736005 -3.9271235 3.7667558 6.1157722 1.5433446 -11.262395 2.0835714 10.013841 3.6821332 -0.1054596 0.63112277 9.611987 5.8992844 -6.350885 -1.6802595 -2.5577693 5.536718 7.249118 -10.583302 -0.946781 2.1011953 -7.958033 3.1485398 1.237556 -2.4414382 -12.1197405 4.145754 -0.07396636 -0.33821005 6.3079762 5.794404 2.877945 -4.9525094 -6.04564 2.0156205 -2.5722246 -6.094333 2.0764077 -2.5712714 7.680017 3.2507687 -3.2449293 -0.9177798 -1.3400604 4.866398 3.8819969 0.6140307 -0.92068577 -2.3968754 5.3795495 5.7801986 -3.5970356 -0.7695517 4.497368 1.7336723 -6.909885 -1.7788785 6.0886827 -2.262464 -6.9150887 2.6461997 1.6815606 4.547475 4.7185135 4.986609 0.86523753 -1.2149892 -3.4806802 0.01762861 3.1505144 -0.70319337 1.2597152 1.0464458 1.6046392 -5.564048 3.106595 3.410161 -1.1876597 -1.4823232 0.37218636 -2.0928946 3.4240408 4.5745015 -0.53957605 4.306918 -0.41158846 -2.4334817 1.0843694 1.729173 -2.865973 -0.39060605 1.8335739 -3.9704626 1.2287234 -1.9010938 -3.9136727 2.7807012 -8.852033 -1.9443308 0.91539836 -0.14625958 -2.112558 -0.98100966 2.8119214 4.8908734 3.9316313 -5.778271 1.6148459 1.457739 1.5384502 0.31629482 -0.9026988 -4.064648 -0.7481761 -2.7874153 -1.5739288 -0.74544 1.2417386 -1.2413161 0.7068625 0.26595095 -2.8467503 -0.18074405 1.5714397 6.253213 1.0621608 3.2779856 -1.0573298 0.19983584 5.52491 -6.0858436 0.8301507 -1.9930682 -1.7651608 -2.6670458 -5.2509093 -1.80087 -7.0381207 0.8450861 1.2651877 -0.9383541 3.2279994 2.4245665 -0.6851582 -2.6640697 -2.0439227 7.279988 6.3285723 -4.526528 1.375479 3.126159 2.1286502 -2.6732936 -10.26358 -3.2864583 -3.6518974 4.099126 5.641886 -6.153154 -1.3960325 -1.2199025 6.114244 2.840309 1.4136716 0.23429976 8.714737 -1.2890079 -1.0240178 -9.5497 3.7451754 -1.8252839 0.17187963 5.157839 2''-hydroxycannabidiol is a hydroxy-cannabidiol that is cannabidiol in which one of the two hydrogens at position 2 of the pentyl chain has been replaced by a hydroxy group. It is a metabolite of cannabidiol by human liver microsomes, produced by CYP3A. It has a role as a human xenobiotic metabolite. It is a hydroxy-cannabidiol, an olefinic compound, a member of resorcinols and a secondary alcohol. |
23652019 1.1907958 4.297933 -0.09956195 -3.7831597 -2.9828577 -5.1871467 -1.3758065 2.8535836 -2.9613798 3.761955 2.244895 -4.7004642 1.9574168 -1.1550543 -1.7145494 -2.4001293 2.3237565 0.33641484 -5.375574 2.788351 -3.356873 -3.8784196 -1.7755678 -6.379122 -3.152545 0.4421041 1.534242 4.6646953 -3.1121035 -4.4971075 -1.5566658 -2.5736747 -0.66053975 4.580241 3.4248803 3.2413754 -1.5214262 5.743575 0.88560116 6.022375 -2.5745604 0.469534 0.62007725 -1.437426 -4.8832254 -0.19905794 -0.7792791 1.2717834 -2.4472914 3.48101 5.0138865 1.2766466 1.3872054 3.7296157 4.047452 -0.040270664 0.7437153 0.010204911 0.08301866 -0.650093 -0.69463164 -4.991422 0.67725277 6.550258 -1.5908377 3.8088267 2.4863336 -0.34958532 3.8665793 1.3301086 2.1994286 3.4978704 -4.6857414 0.94211733 -2.3816042 -2.1021404 -4.863269 2.2244449 0.8738735 3.1924562 -4.9975505 -2.3842347 -0.92959106 3.8178573 2.7061744 -2.6149516 -0.5114126 3.4861867 5.402979 -0.5846595 0.052512854 2.1719222 1.1492103 4.112014 -0.9342099 0.8546989 2.2137344 -2.7209816 -0.23505646 0.4095474 2.9080403 -0.28847468 -4.2616806 -3.1778207 -4.242857 0.035984024 -2.7513425 -0.75910425 -0.7371621 4.717619 -0.867178 -1.6736444 -5.027635 0.20551246 -0.95664763 -0.38151664 0.58778375 2.9846725 2.467329 3.7017577 2.6255708 0.33463344 -2.4302661 -2.4546776 0.8301446 -4.581397 5.487796 5.901376 -0.48130426 1.9754 5.287899 -0.54860073 -5.6066422 4.120661 5.3663616 0.742232 -0.30696222 1.8392786 9.942235 0.26442772 -3.0602925 0.15887713 -1.3807026 3.9409637 6.6737986 -9.273588 -2.0839958 3.3788652 -2.9429512 2.8922691 -0.26059592 -0.6377382 -5.071177 1.8162355 1.6919633 1.0106579 5.833817 5.3840613 6.757365 -1.1382941 -7.8024855 1.8649852 -1.4885085 -4.354059 -0.28018397 -3.1658912 7.1893573 4.931959 -4.93774 2.2861383 0.7671264 3.9085813 0.88327986 1.9217887 -0.7547921 -1.5631392 8.880056 5.3747454 -4.5215178 -5.810074 4.223816 -1.3565079 -5.0896964 1.4998063 4.3106565 1.5884275 -5.002866 0.9245064 2.3159795 2.84998 4.217606 6.503733 2.0304482 -1.999766 -1.2094599 -0.30229098 4.6884956 2.9185889 1.4351963 -0.028891712 -5.888178 -0.9084479 1.5975375 4.2283044 -1.5341609 -2.6689827 2.8640392 0.8411904 3.060687 3.8212774 -0.40750504 0.77020407 1.4265838 -3.2190619 3.8502016 0.1951163 -4.905078 -3.3176332 6.9795356 0.30491328 -1.413596 5.039051 -4.8840804 4.3893366 -10.034804 1.9708898 -2.8204296 4.345782 -3.7981012 2.7034771 1.7216125 2.3532894 -2.8854039 -4.339828 1.7708504 2.1717086 4.952364 -1.2400427 -3.1861346 -1.6748173 0.24577801 1.3266027 0.7284304 -1.1163328 0.41802025 -3.2704604 0.21744317 -0.9041127 -3.2352848 0.5594538 4.7018685 1.3869728 -2.0244799 0.39668542 0.098760165 -0.82539177 4.03325 -2.8530772 -0.096988365 -0.9535503 0.7775838 -4.212681 -0.94522095 -3.721171 0.32338533 0.9058714 2.0477645 -1.1653429 2.9157288 -2.9859369 -2.9526324 0.10114846 3.236119 3.3569834 3.109542 1.4931366 -2.6678157 -1.9629226 0.52504724 -1.8772815 -5.1647434 0.17969596 0.003217943 -0.24377075 2.7050195 -0.062922 1.2674291 -2.280857 2.620424 1.3361659 6.8805947 -0.37212998 4.124693 -1.6583091 0.05592172 -4.7742777 1.5528252 -0.4364816 3.5473714 4.065548 Tensyuic acid F is a tensyuic acid that is itaconic acid which has been substituted at position 3 by a 3-(ethoxycarbonyl)propyl group. The (-)-isomer, isolated from Aspergillus niger FKI-2342. It has a role as an Aspergillus metabolite. It is a tensyuic acid, an ethyl ester and a dicarboxylic acid. |
146672237 -2.559067 7.731273 -3.6005213 -4.5693746 0.14278474 -9.981622 -7.2627 4.52893 -7.6373277 2.622632 6.6804447 -8.897398 1.4319983 7.7916536 1.0919638 -3.6362987 4.486101 1.801305 -12.230157 7.422887 -11.272296 -3.8307085 -1.9848584 -8.94995 -2.880852 -0.4251403 2.8357244 8.85478 -4.1042204 -5.258433 -1.9169295 -4.0323167 3.8126926 6.4330974 2.1734016 6.930423 3.4500697 2.3965511 -1.3781027 4.333795 -2.3998857 1.1653261 1.1657587 -3.9873304 -6.302081 -3.7458549 8.043341 -2.307685 -2.0428805 5.4091334 8.909241 2.3766913 3.3087902 5.5498595 -1.5372095 -1.448704 -0.57673895 -4.5148654 -6.2868714 0.030518325 -1.5148985 0.48522544 2.13463 3.3595061 -4.8753376 4.890454 2.611507 3.8691275 1.2005429 0.3413683 0.27097178 6.85334 -4.6198745 -1.3448632 -2.9581008 -2.4923332 -5.143838 7.181796 8.445395 11.495617 -1.8625767 -6.87792 0.6967069 4.404406 1.742519 -4.76686 2.4759235 -0.48488498 11.707586 -3.3128216 -1.8879845 -5.5034633 -2.1629972 3.0197377 -1.8527231 3.4776297 -1.3033144 -2.0726857 -10.316801 1.8349745 -1.4398987 -3.7651644 -9.117259 -6.140891 6.3506145 -0.39394158 -0.7430078 -4.5559983 -0.44466007 6.5026054 -6.984456 -7.8613124 -6.8682914 -0.43668476 7.8313136 -6.2540703 4.211491 3.4212599 3.0981278 9.260883 3.2250469 -2.3960717 -10.541539 -3.5303779 12.269105 -11.413753 12.51187 11.28952 0.6601762 3.7037935 13.087636 -0.2156125 -13.1069565 6.3214283 11.843717 1.528919 -1.4385574 -6.7722697 5.826767 6.8560925 -2.1834176 -3.9500396 2.1881862 10.943245 13.5199 -9.196373 -1.4809449 4.7058687 -9.018786 0.56575847 8.218715 -4.4143457 -15.964251 2.0050924 -1.4603823 -3.1039007 9.244453 0.5212006 3.419413 -10.187114 -6.6591926 0.6661865 -8.005016 -6.1354184 6.209096 -8.662762 14.868052 3.9981222 -4.3194323 -5.120044 -5.8118725 0.75361115 8.8616085 -2.952045 4.356287 -6.7564926 8.615557 5.243928 -9.342696 -4.88875 11.936732 -0.050140884 -6.6795697 0.5626521 10.304179 -0.41224337 -8.032618 3.6931312 2.7771807 3.161644 13.635767 2.5649946 1.7563055 -7.0599957 -8.24405 -0.14542353 6.068851 0.96653783 -0.77925587 -1.2303638 -0.38178584 -12.387041 3.9663997 5.6539016 0.81267154 3.3075507 2.719185 -0.7436015 8.460433 5.892095 0.6453555 8.099056 3.3876786 0.11624414 10.006518 2.5563788 -4.9498734 0.084764555 -3.5502653 -2.356183 4.3018575 -8.388997 -10.41044 -3.3915236 -11.402266 0.414397 4.9183006 -3.5300786 -3.2333393 -0.56256574 -0.28468856 8.587379 0.51944923 -3.2006025 -0.4176638 1.7155204 0.4046352 1.678247 2.6361065 -0.7009939 3.341504 -7.9956355 -5.0342054 0.27809 0.38749325 -5.0350714 4.0970654 1.8408782 -7.736977 5.320541 8.340772 8.60802 4.872011 2.5683467 -9.140932 0.9336996 9.57699 -8.061344 3.5076377 -6.439544 -1.9029022 -5.994583 -8.341262 3.3073614 -10.814323 -1.1902206 -0.14161736 2.6248136 6.468514 3.273004 2.0372772 -2.4654367 0.30916303 10.22035 14.215551 -7.0679307 3.4986942 6.439988 -1.6397488 -3.111125 -13.627988 -7.2463393 -7.1759048 10.5054455 8.329988 -4.3683743 1.6456325 -0.6646754 8.669831 -1.4082769 5.9496026 -1.1293094 11.518675 -5.3261366 0.8298834 -6.719024 2.1166735 -0.66637534 2.7157094 5.532176 3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide is a secondary carboxamide resulting from the formal condensation of the carboxy group of 1H-indole-2-carboxylic acid with the primary amino group of 3-fluoro-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide. It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture (EC50 = 0.72 muM). It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor and an anticoronaviral agent. It is a secondary carboxamide, a member of pyrrolidin-2-ones, an oligopeptide, an indolecarboxamide, an aldehyde and a member of monofluorobenzenes. |
23724979 7.6337094 12.797893 -3.3803554 -11.062903 0.078822196 -4.6537533 -14.299641 10.804556 -6.5800786 6.721169 10.931168 -16.610233 -1.8719287 15.264756 -2.0177033 -7.2903056 10.112991 5.114254 -15.952549 5.747601 -11.104876 -3.3372056 -7.641229 -17.276121 -4.743496 4.67102 1.9292917 17.856073 -8.194508 -6.285015 2.124111 -0.14853297 1.5612645 12.446375 8.991265 5.016268 0.6341666 15.855811 -4.2042303 1.0812204 -6.8453135 -6.3960557 6.5724707 -4.9701753 -10.386663 -1.0713174 6.4372044 -4.6971717 0.2819484 7.035385 11.327592 1.8376423 7.3737383 7.6350594 -0.46384227 -2.7408879 -1.0878619 -5.945461 -6.5237036 -3.244739 2.0684812 -11.66665 -1.992715 16.397133 2.3283021 1.5999537 -2.1990814 0.54237914 3.8599195 1.8076978 -1.4420347 -2.9275217 -6.247293 1.8284634 -2.7964604 -3.1746101 -1.5392392 18.834652 12.783886 9.627733 -7.9006906 -8.915263 2.6544843 9.593332 3.280082 -5.558978 5.9454355 1.9701229 23.195715 -13.095172 -1.8888999 -0.586004 2.3537898 -2.2075176 -3.391935 5.024241 -0.88253826 -1.1509503 -0.8570238 9.55787 3.1943038 -7.322532 -14.830544 -2.1331592 -2.6519496 8.748932 1.6531321 -2.9867003 -0.440713 11.291515 -7.7748756 5.5458426 -5.814693 -4.0417833 12.255407 -10.344503 -0.12578426 4.2498174 10.314466 17.440111 11.700093 1.8542099 -14.559324 -1.382435 10.442816 -19.633715 16.920727 12.572295 1.4420758 11.151902 16.485683 -4.44455 -18.828457 8.910215 21.190207 1.6757982 7.417296 1.6109227 14.983605 9.310609 -9.7591 -0.22429582 -0.10566783 10.385339 14.916713 -15.654212 -10.309021 17.071085 -14.761501 3.8003933 8.244494 -2.5006058 -16.011957 3.4364417 -7.8015375 -0.39659768 11.182214 13.144533 14.621539 -8.339149 -12.419845 -0.23109427 -16.034544 -10.638699 5.422891 -7.883483 18.037514 10.992166 -4.5582337 3.7263532 0.20061685 2.8291764 8.719358 -2.3446097 -0.72341216 -2.4196858 11.380281 6.770735 -13.470357 -5.316226 8.750709 2.1578279 -7.601711 -0.12739436 12.148045 1.1910408 -4.077692 4.5983634 4.851866 9.134893 13.824852 9.974689 -1.9048023 -3.5463204 -5.4864097 -0.93268335 -0.5141331 2.403826 3.476174 4.4327564 0.9333676 -7.527803 2.9815784 6.8503194 2.5002842 1.5616235 2.517344 -2.3223124 6.1684713 8.430632 -3.0138373 5.0285373 7.165966 -2.7943935 7.703744 1.5714643 -3.8993006 -3.0951424 -0.6738172 -2.3390734 2.4171157 -8.725161 -12.461595 -1.8678505 -20.092285 -2.1990917 1.6848731 -7.2160683 -2.4180727 2.8226194 -1.3976705 4.970622 1.3099797 -7.663831 0.7208828 5.0366096 8.919205 4.4189973 1.3813622 -0.31942767 -0.28125098 -14.09807 -7.246505 -0.3921264 -1.0322777 -0.31697074 8.833032 3.02635 -9.48352 4.407994 11.686083 4.1337905 7.515775 1.7091079 -5.4909725 0.99112344 10.708504 -13.646318 -3.7793808 -14.494068 -1.160377 -6.9303493 -7.5865293 4.073533 -5.4965568 -0.7246846 -4.441961 -6.8508673 8.90137 5.044517 -2.661785 -3.8307593 2.2001033 10.171724 15.112717 0.48794985 -4.204718 -3.439892 1.5433396 -8.2890415 -15.768243 -7.9714065 -7.7250094 3.3494208 8.711762 -3.4716222 1.4164836 -4.159113 9.914709 2.8770278 7.3461795 0.4534135 18.345476 -2.8471558 5.1091366 -16.320833 6.744115 -0.23520441 1.86578 10.39904 (R)-paliperidone palmitate is a 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl hexadecanoate that is the (R)-enantiomer of paliperidone palmitate. It is an enantiomer of a (S)-paliperidone palmitate. |
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11954366 1.9207575 8.128274 -4.6698565 -6.146792 0.6791203 -16.175793 -8.340401 3.7828739 -8.27045 7.469143 5.832309 -13.365632 0.57634294 -2.185593 -1.3264936 -3.5295255 2.6127355 0.00767532 -12.196965 9.321857 -8.734944 -2.4670796 -7.556748 -11.918324 -3.0094814 2.9479208 0.9343821 8.984972 -6.069209 -8.277879 -1.7147851 -0.5910598 1.534032 9.488239 5.89322 2.4992087 -3.200385 5.2983484 1.2356424 7.4224415 -7.1627645 1.0582488 1.3366408 2.9441175 -10.857027 -2.108266 1.5870763 -0.99780464 -4.746665 4.978918 6.6512938 0.35048503 0.7383111 3.3352933 2.365122 -1.1131033 -1.3612566 -1.556191 -5.152891 -3.1535442 0.25107804 -6.126319 5.1269712 10.194194 -6.478837 5.152974 1.1458733 4.340768 -2.9122765 3.7176619 2.3639 8.226479 -10.661676 -0.53830075 -3.934753 -4.077258 -6.3632 2.957155 2.5267372 10.686157 -6.422838 -4.9538903 -4.548975 10.292308 2.033851 -7.8644376 1.5712142 2.2919774 9.769747 -1.0728511 -1.3814353 -0.11271232 -4.1033273 6.7738028 -3.3041253 1.7494812 -3.399518 -4.3598185 -4.983869 1.1136246 3.3516161 0.87172574 -6.836573 -2.6787972 3.17534 -1.8455386 -1.2992634 -2.2416084 -3.5282478 8.452186 -2.638378 -3.453783 -7.005236 1.0021942 6.4417048 -8.748217 6.0857964 5.4162793 4.787763 8.158478 2.1449285 -0.29517832 -7.135895 -0.041810706 4.6856136 -8.845927 13.368294 10.296988 1.1854987 0.94461095 12.0094795 0.57630956 -8.894932 9.504974 8.1801195 -1.6190469 -1.6955595 0.5153108 11.729058 2.4472 -3.444191 -1.337374 5.0186405 6.3860626 14.7484255 -10.2741 -6.487914 10.9596195 -9.46487 3.8197258 6.0631876 -1.9801794 -7.030471 0.94837946 -0.56630397 0.35009798 8.696782 5.7400947 7.5344014 -4.8738017 -10.989902 -2.1597803 -6.5923743 -5.7689962 1.086533 -8.563606 19.059313 7.3382564 -5.6316433 -3.5214822 -4.951376 1.6981938 6.30284 1.2534666 1.4041544 -5.5256495 12.699179 8.968118 -12.318145 -10.493747 8.9457445 -1.9463897 -7.380911 -0.87313485 9.2288265 3.4739056 -6.057312 -2.4090965 3.5691144 5.7527943 14.962384 5.851491 1.2208956 -6.0395036 -9.451418 2.9704015 4.6132894 2.3511825 4.0720983 -0.81253564 -3.8550906 -8.172952 3.3025298 6.6389046 0.40031475 -1.7365861 5.8453026 2.0025458 6.1993284 6.897735 1.2098413 3.7642558 0.5165104 -0.021833241 6.566866 5.2865543 -6.6241574 -2.0867066 3.5696008 -2.2165043 2.4867063 -3.538722 -5.7600956 1.2289928 -15.959545 0.53740656 -4.7745566 -1.672631 -7.9143333 5.521962 0.41812235 5.382447 -6.163852 -2.044439 2.2240875 5.4913936 4.2295275 -0.3487147 -0.43225604 -1.8835565 2.3646543 -3.5965035 -2.8651013 1.1463317 -2.8170035 -6.471019 1.7270552 -1.8522888 -6.4073677 3.414082 9.885 5.6121325 -0.04748425 3.336381 -2.4608269 5.549497 6.5944743 -12.054388 1.2494184 -1.8975625 -1.7943544 -6.2854924 -5.314793 -2.409843 -0.320438 -1.0033145 3.902301 5.191218 7.584198 0.7902557 -4.9153776 -1.3000412 6.026327 7.260731 9.648456 -2.7712197 0.64926475 -0.3374057 -4.974207 -3.5793748 -7.3357167 -6.6942925 -3.007965 0.40944037 6.6931396 -4.5805025 3.0577893 -1.0579488 4.578122 -2.6260426 10.694961 -3.836161 7.948603 -4.286321 -1.6328924 -11.326185 1.4633857 0.44236493 6.359668 6.5903754 Zofenoprilat arginine is an organoammonium salt obtained by combining zofenoprilat with one molar equivalent of L-arginine. It has a role as an anticonvulsant, an apoptosis inhibitor, a cardioprotective agent, an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor and a vasodilator agent. It contains a L-argininium(1+) and a zofenoprilat(1-). |
5281024 2.3642828 3.4214034 0.63203555 -3.4873276 0.17405468 -2.2109046 -4.69477 2.8999965 -4.995498 5.009004 4.322975 -5.54923 3.5122771 -1.7390358 -1.4996898 -4.814784 1.9667217 5.1195526 -8.997082 0.46255508 -0.84517324 -0.6307932 -0.3249096 -9.97754 -2.4597664 5.4272814 -0.25138876 7.776556 -5.56383 -6.900983 -0.3839043 -3.4314146 -1.6164192 5.98311 6.743013 4.0918617 -3.3825912 10.871435 -0.2948724 4.7084036 -1.1588787 -6.873556 0.010147892 -1.7940309 -8.934083 0.4151265 -1.3723295 1.9789027 -1.5968988 2.7524753 5.8363023 3.560167 5.126295 6.333096 1.0625746 -5.038062 1.421554 -1.0809072 1.2299786 -3.7803805 -1.4503311 -8.900072 -0.07792344 11.200883 4.299927 0.58421826 0.37836838 -1.8746216 2.8860402 -2.1825318 2.3494558 -0.54959553 -4.1165166 3.2622278 -2.5915368 0.7889701 -1.0968835 4.8641376 2.576352 2.5795298 -3.1708624 -0.72327113 0.4782936 9.583506 0.03356789 -0.88980883 1.2117574 2.2513812 9.117376 -5.474184 1.4751642 3.4904628 4.251554 -1.3381467 -0.24485934 -0.6388089 0.5650209 -1.5042876 3.5098124 5.6781497 3.8856192 3.2915156 -3.7495275 -0.14693433 -7.8388886 5.3911357 1.3982674 0.84905475 1.7558277 7.631029 -3.724068 3.7222793 -7.728627 -4.3168244 -0.4177293 1.4675035 -2.5944657 4.4169927 3.8341088 7.8477407 9.424087 0.8604045 -1.900488 -0.4433366 4.3156457 -11.325294 6.3977323 8.263802 -0.034612387 6.1026316 8.508828 -7.3872385 -2.5245283 1.5530896 5.4213343 -2.7723613 2.98844 2.1355317 10.37495 0.8271354 -4.390042 1.4534893 3.0289836 3.2729309 7.601409 -11.132578 -6.0704145 8.385539 -6.7040825 0.6557342 1.0849857 -2.549228 -5.6156325 2.5876734 -2.530527 2.5026023 1.9791138 8.80283 10.903208 0.36842003 -8.080762 2.903606 -2.9769895 -4.4946246 5.7167377 -0.14337885 4.19429 7.835536 -2.759729 4.989961 1.9153852 6.5616674 -0.10163414 0.19993702 -0.6463438 -0.095281966 11.343826 2.2567925 -9.258137 -8.093132 0.9415264 1.344155 -3.0879831 0.44357538 6.3203635 4.4719195 -3.9025118 0.3656229 4.0084877 6.5472927 4.11665 9.751496 -2.5678258 -1.3036679 0.19799498 2.2260358 2.4702032 5.708008 6.2631807 0.510101 -3.7915041 -0.10695587 2.3225913 1.8038563 1.3452936 -5.645749 0.39437652 -1.6231217 1.2267042 -0.96974933 -3.5889893 2.6053686 5.2986975 -7.792888 3.7571607 -1.462852 -4.4265842 -2.1379623 7.5070534 -2.2901483 -2.4397063 5.6513095 -4.2741537 3.8873591 -13.708632 2.9338782 -4.6792126 -0.19107853 -4.679779 5.428277 1.1086226 2.2839198 -3.5025508 -3.9176345 0.6996106 1.3044441 8.975068 -0.3455302 -5.231022 -1.5208759 -0.23748825 -2.9859302 2.1984308 -1.612958 0.74786234 1.6676497 2.5196102 -2.1605506 -4.4093027 6.3099847 5.582383 -0.5761484 -0.43712538 2.0132446 2.2357392 -3.1261773 7.388624 -5.134951 -5.7668633 -5.466139 2.5038218 -4.354434 -2.2942157 -4.4441524 3.7602086 -0.12225275 3.5180373 -4.7109585 6.3616085 -3.407235 -4.1278834 -2.4089425 2.2382336 5.3978834 1.1187541 8.267173 -3.0113294 0.53772 4.4867134 -4.7198195 -5.7365417 -0.4092512 -2.7057858 -2.0473492 6.2257 4.683449 0.8402288 -2.456259 5.658113 4.991306 6.84273 2.7860525 5.848635 -0.55558676 3.5733492 -5.0555086 3.742327 1.261027 4.0070844 4.3515644 (9Z)-octadec-9-en-12-ynoic acid is an octadecenynoic acid having a cis-double bond at C-9 and a triple bond at position 12. It is a conjugate acid of a crepenynate. |
121225552 2.1440074 4.8201547 0.19255178 -3.1139448 -3.2100017 -3.2191484 -1.4244736 -0.5157075 0.69663393 1.5802261 4.3088393 -2.652047 -0.20092735 4.4155054 0.097491965 -0.57848966 4.9035544 0.6556888 -5.7145724 1.8547761 0.10889238 -5.0689445 -2.9363334 -0.17955142 -1.7212969 -0.76909703 0.3559863 3.7404594 -1.3091027 -0.86035657 -0.0017213468 -1.2806804 1.0546477 2.078597 2.7620091 1.618216 -1.5851345 2.7771082 -1.7314118 0.24097326 -2.0828378 -0.4366694 2.2719343 -3.4484403 0.30140126 1.0079054 1.1531644 -0.9130864 -1.6467265 0.76150733 2.790704 -1.1602783 0.3123429 1.9201266 -0.885014 3.941108 -2.3671825 1.2105494 -1.4383584 -0.6698028 0.864117 -1.4890144 -2.6276062 2.9375753 -0.74659395 -0.8609946 1.8840946 3.7043946 -2.194427 0.7561614 0.61869025 0.32098085 -1.7221464 -0.735494 1.2145605 -1.5578169 -0.4244129 5.0568366 3.08185 3.3571103 -0.9844644 -2.5412903 -1.3936081 1.97232 0.7340214 -1.9858078 0.37306166 -0.8152395 5.374267 -2.9019241 0.8880323 -0.10835608 -2.3022592 -0.52581745 -2.2364147 3.2706 0.5490409 1.5083591 -2.5695474 1.4507098 2.5222316 -4.788443 -5.268018 -1.1310582 2.8051853 0.56332594 -0.79941595 -1.1221257 -0.39182082 1.3607199 -2.1628885 0.88296926 1.6150227 -0.7468367 5.543755 -1.5280789 -1.2788006 -3.040715 1.3793199 3.5605154 1.2437229 0.47448963 -3.9932075 -0.28146365 3.0369077 -3.8262022 2.3018959 1.744333 -0.24515685 2.3490353 0.18080339 -0.10758485 -4.6589603 -0.47994864 7.502252 3.4690309 2.6618817 0.4458391 5.2008376 4.7212777 -1.8955988 -0.40462607 -1.5252445 1.8159964 1.8713638 -3.365186 -4.5562696 2.3987017 -1.1866939 -0.71802175 1.2549402 0.841963 -6.535172 0.5519547 -1.0359496 0.91969585 3.6564963 1.5419017 -0.15321891 -1.9881368 -1.3208532 1.2750833 -2.2683632 -1.3195368 0.3488717 -1.3830512 6.147618 1.1072745 -1.943155 -2.266851 -0.78644866 2.7978208 2.2783146 -2.8540237 -1.5825135 -0.38775125 2.2645555 1.9130213 -0.9331682 2.3441598 -1.7595084 -1.4378837 -6.0678196 -0.5665394 0.724403 -1.2884245 -2.3871903 3.0262394 -0.37090632 0.017556854 2.2431571 3.2069738 1.2185817 -1.0769854 -1.7818967 0.8058324 4.5325403 -1.464834 -0.14432691 0.7290826 0.7777686 -2.4693391 1.6010195 3.5864782 1.9022584 0.3469828 1.4804221 -0.2898013 2.5530627 2.648378 0.6895059 1.729027 -0.78671926 -2.860425 2.328594 -1.33059 -0.10919345 0.3286323 0.90505123 1.9256247 0.81992275 -2.157672 -0.2822994 0.8802158 -1.8243707 -2.5613575 1.7753352 -1.4865855 0.68769866 -1.538296 1.1659653 0.16497627 1.4996525 -0.3071578 -0.88190615 -0.2465609 -1.0255297 -0.28785092 -0.64947927 -3.324122 -0.52858824 -3.1921337 -4.501661 0.5177743 0.6326194 -1.9794852 -0.5925132 2.1277823 0.28995574 -0.47441396 1.9543996 1.1916745 -0.8603008 1.1925132 -0.43506393 -0.6464053 1.7615228 -2.0934572 1.8838402 -0.618544 -2.1765573 -3.8508177 -1.4949014 1.4397812 -1.7292101 -0.9327618 2.052487 0.66332877 1.1625339 -1.4049518 2.556779 0.20211552 -0.691385 6.250253 2.287382 2.124929 1.3477063 1.9338199 -0.91081834 -1.4934607 -5.5260563 -2.6336157 -3.1197538 1.0571505 2.349745 -3.6468132 -1.9693655 0.7262081 5.068092 2.070366 1.520472 -1.2749946 5.9287767 0.92345506 -0.33083773 -5.133046 1.7437787 -1.3943579 3.1440017 3.359992 (S)-demethyl-4-deoxygadusol(1-) is an organic anion obtained by deprotonation of one of the hydroxy groups of (S)-demethyl-4-deoxygadusol. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a (S)-demethyl-4-deoxygadusol. |
131021 1.7147901 7.01173 -3.7706368 -1.5590968 -7.7505345 -6.929491 -4.288897 -0.48664224 4.2081966 7.0305624 4.3955693 -3.5830038 -0.65170187 10.437425 0.0010866076 -0.7010311 10.666539 -3.536185 -13.307588 5.6806593 -2.3461218 -10.836345 -9.26711 -2.5186665 -7.785488 -2.7098548 1.8693975 12.608845 1.3726821 -5.2742996 1.4399319 -3.3569245 -1.4435169 6.065384 11.324342 -0.8126757 -0.83266556 6.222744 -0.2741927 -0.9560991 -3.9296587 6.255748 6.5079684 -3.186493 -2.9421668 -7.4001026 0.33489484 -1.0894213 -0.8306359 6.907039 10.175324 -4.310206 4.611322 2.7325282 6.0216393 4.0888605 -2.6781483 3.3341744 -1.4312387 0.74557465 3.3335416 -2.5119057 -3.6434488 11.467705 -5.196273 3.4416003 5.7496324 3.7611809 3.9606223 -1.3408699 -0.12841661 4.014948 -7.144576 0.25083452 2.6421797 -3.1966014 -10.763136 9.969847 5.0302896 6.934972 -8.399612 -3.6433501 0.8455743 7.447388 2.8391418 -5.957524 3.1171324 -4.155095 11.181159 -4.5182896 -0.98100615 1.0645754 -2.1339524 5.1759577 -5.693227 0.55963737 5.978113 -0.74706334 -1.6028751 -4.830899 5.6890526 -7.363177 -10.207014 -1.5954604 3.6709938 3.4178352 -4.2368646 -6.2532053 -1.8738408 5.936558 -4.2737565 0.3379576 -0.17967822 -0.95528895 6.161333 -5.0067153 -0.9757093 0.5975433 7.697536 5.6471214 0.5243684 1.2304093 -3.285317 -4.5900884 5.089427 -11.582859 11.199611 3.7548387 -3.7857544 8.02494 4.0460773 1.3819984 -13.391133 6.732858 14.3776 2.2236247 3.6573849 3.0256438 10.797268 9.980612 -3.3623283 -2.3007815 -2.4783905 5.660276 7.909467 -7.0579 -5.001219 7.037748 -7.4167495 -0.6660065 -0.85197556 0.34987894 -11.829226 4.7319446 5.423102 -2.0909913 8.036488 6.220845 7.093869 -6.578796 -10.137902 3.834321 -4.029244 -4.352281 -5.072003 -2.7487173 13.972233 7.2604165 -10.18732 -1.8690197 0.6921117 6.521189 3.2403965 2.7179494 -3.1680648 -3.117707 5.1059084 9.076782 0.46188802 2.5961394 -1.1941147 2.477754 -8.387726 -1.1098545 2.1117048 -3.0750651 -8.179356 1.433037 4.70179 0.21026406 6.941034 6.489144 4.2567644 -1.6123146 1.0886034 1.3329039 8.634027 0.3145389 2.6766837 5.0038323 -1.0446455 -3.7045329 3.6907237 9.862053 2.1332264 0.79493093 4.0109687 -2.4621818 4.7943187 5.5118856 2.6766105 -0.3402259 -1.817836 -6.1763864 1.2877762 4.2568207 -0.5894129 -3.269855 3.3105257 1.8089527 1.6412712 -1.2596446 -3.5607703 5.2627873 -6.893837 -3.5992424 -3.5440335 1.6812023 -0.78040326 3.896509 3.5543087 2.376197 4.508297 -2.810998 1.2388333 3.400916 3.9106627 -1.4639329 -4.827125 -7.3821974 -2.4715512 -2.4937859 -4.640358 -0.91226256 -1.6002785 -3.6308353 1.2261657 0.86089253 -4.0334325 -6.128793 5.416701 4.1172414 -3.534341 3.087728 1.8460406 5.5516872 4.463194 -5.893628 0.40809426 1.2328185 -5.59244 -2.0637212 -3.7403746 -4.1502476 -7.4834313 -1.1295297 1.8727151 0.32102692 5.080958 -0.7447262 -2.286096 -2.4541042 0.39184552 7.7384253 4.8264976 -2.7300973 -0.8048201 0.9336546 -0.31804556 -3.7896829 -14.025523 -3.2421265 -3.1790977 3.8357024 0.7676283 -7.1507373 -7.0494266 -2.7209828 7.069525 2.589205 3.7098978 -3.2334416 13.130925 1.3555729 -1.0928093 -12.916475 3.8374817 -4.357341 0.22013088 7.7869606 Lychnostatin 1 is a germacranolide isolated from Lychnophora antillana and has been shown to exhibit antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a germacranolide, an acetate ester, a cyclic ketone and a secondary alcohol. |
118987336 2.4203687 11.451553 -3.1602697 0.8900628 -0.232256 -14.703874 -7.55382 4.1076574 7.0419235 7.195789 3.908667 -10.095237 -5.316735 12.706507 0.838664 -0.4338054 6.394836 -0.7895614 -21.756767 9.3847475 -4.495205 -9.646533 -10.927617 -3.929606 -7.493383 1.4388505 -2.037337 7.810815 -0.5554955 -7.016858 1.5982099 -0.3799561 4.2310743 9.290345 13.190495 0.39887476 -2.5591762 4.992965 -1.4067113 -4.232684 -7.5844235 4.914651 3.0480165 1.2696882 -6.0690327 -0.16284978 2.2840238 3.0439742 -0.64319503 8.061474 6.760231 -5.450935 6.694776 2.736544 5.009506 -0.9832847 -3.770767 -1.0896713 -6.1635404 -4.2987733 3.8245573 -3.5584269 1.1716282 7.7983613 -5.43896 -4.700519 1.9594312 7.876509 -1.6104618 -3.2457557 0.70256746 5.071397 -8.936021 1.3071115 0.7625285 -4.5001683 -9.931095 11.409688 5.1505184 4.646537 -3.8277318 -9.518559 1.7951734 5.7849574 0.10880062 -2.3033137 9.359866 1.8806995 9.438713 -8.98829 -1.788283 -2.0294693 1.2070999 0.33760464 -5.470473 1.2698973 4.2619867 -0.64840555 -1.6460996 -4.4002285 2.915413 -2.945013 -12.821886 -1.0683067 11.419913 1.5411749 2.3885238 -0.9963392 -1.5202707 8.782506 -5.878077 -0.9691091 1.1683679 -4.5011077 15.975084 -7.782024 -0.7383126 1.100377 10.242781 6.8592434 7.346396 -2.2444959 -16.108225 -2.0737538 8.690359 -12.710686 15.940661 7.0514736 -5.63388 9.1512 3.5663147 3.398593 -13.485774 10.698045 20.916159 2.1254983 8.622083 1.9302754 9.707351 13.166197 -1.233954 -1.8775212 2.7444203 5.5287633 17.095722 -1.4162434 -9.066407 17.555445 -11.575068 3.2089314 11.373782 1.9613166 -15.775329 -1.5893298 -3.5214055 3.711593 17.002153 9.60525 10.681949 -7.979682 -10.93191 -4.063438 -15.109336 -2.1604152 0.9048785 -7.5367885 24.66873 6.9015484 -7.9144177 -3.9141536 2.8343658 -0.08637145 10.884812 -4.7321777 0.8974823 -1.0314915 9.824536 7.2213974 2.8404505 7.1710095 -4.311123 0.20267028 -6.1940336 -3.3665464 6.0043044 -5.0315714 1.5641304 -5.552162 3.4111574 -3.1155589 10.578482 2.043896 0.5477695 0.79088795 -3.9007034 9.845934 0.6236273 -2.3254735 0.4255238 2.469048 2.6478307 -6.2029667 3.9305577 8.797872 6.6906567 2.6205761 1.4378481 -7.8837657 4.294481 5.614081 5.4295907 5.0420456 -1.8305042 3.944016 -0.5825385 8.393257 2.8348796 2.4841583 -1.4783286 -6.531507 -0.13406786 -15.250173 -2.7507002 5.030322 -9.488172 -9.189337 -5.801311 -6.011429 2.299978 -3.9475465 2.6948113 4.3093743 3.9206138 2.6424775 -3.4605494 2.5464268 9.886906 0.62063503 -2.7011526 -6.1895885 -1.2107458 -8.966295 -7.0428557 1.9220723 3.191311 -1.805936 3.3118317 -1.7996213 -1.7316176 -2.4626973 9.1447115 5.9258504 -1.8574157 2.7089257 3.9497056 7.8939834 2.3400521 -14.198891 -6.166221 -2.3854926 -5.023266 -5.069095 -4.466867 3.7532194 -2.5552278 -5.134254 3.9674613 2.5566573 4.584794 3.0321739 0.60638666 4.3226805 2.9323745 -1.0695411 14.870869 5.9299803 5.5525556 -6.804831 -0.4656448 1.4944853 0.9799124 -7.3892264 0.39662853 1.4593171 5.6371555 -11.559224 -5.49251 -3.0757875 6.9628134 -0.32403186 0.44003272 -6.7911916 17.768534 -2.6533165 2.3683012 -13.249901 1.3650802 -0.30394197 1.3771856 5.0305586 5',6'-diamino-1,3'-bis(2-deoxy-beta-D-erythro-pentofuranosyl)-4',5'-dihydro[4,4'-bipyrimidine]-2,2'(1H,3'H)-dione is an N-glycosyl compound that is a metabolite produced by the bacterium Mycoplasma genitalium. It has a role as a Mycoplasma genitalium metabolite. It is an aminopyrimidine, a pyrimidone, a ring assembly and a N-glycosyl compound. |
91849166 -0.36774358 5.4659247 2.094304 -0.3194819 -0.48500586 -14.329913 0.5710318 -0.8181182 9.408878 3.5025854 -1.049395 -4.2811036 -7.0206976 7.105351 3.2459123 -0.27565533 4.6862845 -5.923167 -17.694202 8.37572 -3.8446681 -10.8433 -8.382892 -3.4903316 -7.594508 1.8117865 0.8777199 4.9916778 2.0241737 -3.4135797 2.7111309 -0.54582775 3.0774806 6.6727057 13.400451 -0.808646 -3.4283533 6.493909 0.69361615 -0.47205752 -9.883666 2.6334915 -0.8038951 1.4528718 -1.8161027 -0.0976404 0.31156325 4.3139386 -1.9443728 15.258106 5.0714054 -3.142735 6.6170135 0.045966573 10.210723 0.924564 -3.1711614 7.270369 -2.6489434 -0.85357803 3.4051576 -6.3336415 0.19790268 5.0232115 -4.069386 -1.3589696 2.7525682 3.879733 -1.1219316 -6.9652753 0.22169589 3.2767267 -5.5814295 3.2340972 1.4944407 -4.873153 -11.728718 9.2657 -0.10008911 0.9541051 -5.934487 -6.1081667 -3.0155425 1.7366579 2.4696405 -1.7422596 6.936751 0.81430966 5.871796 -3.3423495 -0.26274487 -1.6693288 -0.91265213 1.2416071 -1.4636507 -3.1523893 5.8720284 1.8248012 -0.14256473 -3.4111218 6.6018815 -1.378461 -10.06633 -0.74728906 8.852212 3.5372715 -0.545354 1.6104134 1.2179856 2.6818156 -5.366932 4.5441413 4.364328 -1.7965236 11.8813505 -7.4904165 -3.376208 3.6512547 8.223254 5.4945793 7.0414395 1.9660811 -9.154085 -3.4707158 4.090107 -14.244529 10.447605 6.3747635 -10.232397 5.409232 -1.0990707 3.17717 -8.396254 9.823592 15.790367 3.3955247 5.172484 -2.6333797 9.964263 9.852429 -5.0024185 0.8138381 3.529767 2.3872135 14.674157 -3.7619803 -6.158701 10.891003 -8.993358 1.8111333 6.7145 2.7426035 -6.365247 2.2882757 0.0101515725 4.8533254 13.7236185 6.6765428 13.187337 -3.6902947 -13.021826 0.4886647 -5.4749045 -0.61427885 3.168833 -1.7220634 20.68058 4.9384556 -6.7060685 -1.1743395 5.9636474 7.8512096 5.634564 -2.055257 -2.172163 1.6015264 7.8267207 7.798428 -2.2341197 0.49495417 -8.318562 1.1294546 -7.994486 -0.2332174 0.96671945 -2.8168335 4.7075114 -7.309261 2.161394 -1.3960488 4.7271304 3.4347734 1.579264 5.170705 0.2156184 6.3830833 1.2459815 1.1514082 1.4692532 1.1298528 1.4406186 0.0014502355 4.157745 9.372543 4.612523 -0.16406347 -1.4932141 0.1582456 0.13889357 5.960615 2.2142923 -1.6303754 -6.22674 -2.5285616 -4.1234007 5.9936876 -0.25574657 0.40362725 2.8577049 -5.6553164 -1.0360868 -3.036236 -0.5945987 7.399194 -2.0356376 -7.9677424 -6.6792674 1.7122285 3.7806432 1.3089046 1.4246448 1.2492678 2.8171258 3.1089664 -2.292916 0.55738217 7.685771 0.4373498 -8.968674 -4.1754746 -3.6643422 -2.9882364 -2.0464354 0.21119584 6.7518244 2.0175307 1.109549 -4.5279317 -1.9988909 -2.4753873 2.4198265 2.4686391 -5.276769 4.5788336 5.2529306 6.842369 0.31800628 -11.429272 -4.850108 3.3221006 -6.2995515 -3.823656 1.9430386 0.08346681 0.4822495 -3.2509484 5.1529675 2.5473602 6.301913 0.2553477 0.83398044 0.490259 0.102478094 0.5170274 11.627157 10.438512 0.25354457 -4.940442 3.961723 4.6980968 0.9194971 -3.5274284 1.0726874 0.23641235 6.4290967 -7.269927 -5.3839865 -4.3095045 8.302613 3.0383499 1.781832 -4.451027 13.514427 -0.5364339 2.6816802 -10.983891 -0.82228434 -3.6657288 5.590358 2.8538961 Beta-D-Glcp-(1->4)-D-Xylp is a disaccharide consisting of beta-D-glucopyranose and D-xylopyranose residues joined in sequence by a (1->4) glycosidic bond. It derives from a D-xylopyranose and a beta-D-glucose. |
52921804 4.851676 7.854259 2.042221 -10.121886 0.61631167 -6.710907 -6.390902 5.9769716 -12.75367 8.518201 13.709331 -11.667402 5.086893 -1.9980266 -0.17271829 -5.9968877 2.601409 10.439291 -15.212378 0.29501346 -3.73582 -2.8881476 1.53437 -18.668295 -5.334233 11.416694 1.6265808 15.676467 -8.838515 -8.134668 0.8209208 -8.024184 -3.0276098 7.8279963 15.542623 11.021215 -5.052575 19.705893 -2.1892629 10.873359 0.14829017 -16.08673 -2.1337287 -2.480391 -14.918214 2.4103558 -2.8061256 4.05761 -3.0307379 8.2627945 11.851166 8.263547 10.89909 9.9654455 5.2426453 -11.526139 -0.43825382 -0.619209 2.1424448 -6.0300374 -1.2304175 -16.919321 -0.7563268 20.473295 8.398598 1.2581584 -0.113332346 -1.3813932 6.4771166 -10.635369 3.3942487 -4.5979166 -6.030765 6.6847024 -2.1224496 3.2447119 -1.9770682 11.53761 4.817006 2.4761362 -8.760277 -0.7410479 3.2001839 15.038643 3.3226266 -0.76166356 0.91400003 1.8829085 17.810741 -12.336412 4.1602354 8.922707 12.365227 -3.9268477 -0.94122446 -2.7565823 -0.02785115 0.19307129 6.196987 10.493834 7.4793453 5.325154 -8.443584 -1.1628538 -14.103175 10.247142 1.2772794 2.72493 7.8016615 13.213581 -7.2029495 7.6721673 -15.428915 -5.7091866 -0.54338133 0.8149901 -7.218179 9.642165 10.19843 15.881822 20.924797 4.1757154 -2.4176967 0.30726156 10.533653 -26.96783 11.792461 18.990831 -3.1118019 13.250253 17.450687 -13.438263 -5.796765 4.454799 11.499609 -6.269708 7.5356016 2.6095858 19.646978 2.2999117 -8.448085 1.7588499 3.4355114 7.394975 15.500727 -24.574703 -8.385285 17.040401 -13.2219 0.111292906 1.822388 -2.4975019 -13.0243435 4.3859916 -7.0930066 5.0370855 4.395615 15.309946 23.35686 -2.494211 -16.448183 6.8514643 -5.665591 -9.896658 14.172886 2.7595146 5.5477767 16.77001 -5.8046618 10.885044 3.525082 11.948035 -1.7945557 3.7681475 -2.071673 1.6710527 20.268755 5.3163104 -16.727598 -14.585922 1.347682 3.3038223 -6.9052606 0.94349575 12.562822 6.357098 -5.1232047 -1.4726845 8.249684 13.575118 3.279572 18.733206 -2.373868 -2.1012979 1.4780349 6.4236956 5.5472383 9.62368 10.248613 3.704363 -6.5848403 1.1082577 4.4590273 2.130963 4.1562243 -12.05687 1.5541193 -3.9833016 2.1816592 -2.2663462 -7.2773666 2.203193 11.114165 -16.544924 4.5601716 -5.583399 -5.2969537 -7.665392 12.363476 -7.2389917 -6.6598897 13.536321 -9.707894 6.8193107 -28.447996 6.6183157 -10.875017 -1.6937321 -9.57978 11.268894 3.8135388 2.5461712 -5.778739 -7.6568785 2.1012914 0.87386715 17.641556 -1.6624115 -10.014805 -3.487129 -3.5893483 -4.594728 4.0638895 -3.306894 1.7302432 7.215706 1.0029802 -2.0693543 -7.145587 17.039112 12.222717 -0.5561259 -2.638421 3.5907483 4.765896 -7.234317 13.062861 -8.973543 -13.838057 -8.952433 4.718435 -8.735906 -3.8926697 -6.8793087 6.053289 1.2824363 6.3587236 -10.50218 13.093085 -4.46289 -9.738484 -5.0295024 0.9972673 4.4366593 -3.0155249 20.06578 -4.924688 -2.0014846 12.537535 -8.636218 -10.8191395 4.187698 -5.4232626 -1.4600368 12.430802 10.370608 2.731538 -4.3633475 10.860421 11.652421 10.338122 3.0294585 8.138994 0.018047266 6.703111 -6.162879 8.185811 0.10927924 4.431668 5.812883 (19Z,22Z,25Z,28Z)-tetratriacontatetraenoic acid is an omega-6 fatty acid that is tetratriacontanoic acid having four double bonds located at positions 19, 22, 25 and 28 (the 15Z,18Z,21Z,24Z-isomer). It is an omega-6 fatty acid and an ultra-long-chain fatty acid. It is a conjugate acid of a (19Z,22Z,25Z,28Z)-tetratriacontatetraenoate. |
71768074 -6.9161015 3.6698084 -6.2904177 -2.849512 -1.7746136 -13.427319 -4.986282 1.9855156 4.5560446 2.05732 10.350513 -12.874084 -2.952695 21.882217 11.993859 1.6260602 13.907772 0.18563682 -25.510967 7.741259 -5.4065275 -16.476768 0.32358846 -5.6800246 3.2884626 -0.023212433 -0.813097 15.854676 -2.5231657 -5.0734687 0.8423168 -3.464436 5.713603 8.688888 6.1705675 3.8309839 -1.6216685 5.875462 -0.6782638 -5.3170133 -3.023243 4.118347 -2.408791 -14.218502 4.6092973 -7.0214324 11.468227 -5.221462 6.697912 15.818378 8.085637 -2.2137063 7.776295 5.5371065 0.23960556 6.300577 -14.199198 -3.3291488 -5.545534 -2.466897 -4.3216147 -2.3649502 -4.0261865 4.78757 -3.982253 -3.8471024 6.276874 11.084415 -2.3724167 6.8216743 4.128445 -4.217663 -5.5797367 0.56530833 -2.682797 -10.81403 -13.832578 19.378416 14.91516 15.532326 -2.521812 -5.7005186 -0.9977919 1.5983139 2.9981582 -2.7659006 0.062067628 -8.481075 16.043358 -7.285753 -3.9417424 -4.9189496 -2.665544 0.07755924 0.91469073 5.543782 3.1478798 5.0921335 -4.570269 -1.2581409 4.2690725 -16.927471 -15.5542555 -0.14736423 11.348376 3.383912 -1.273293 -6.686928 0.5674339 -3.1367276 -9.4838505 -1.4118029 -2.8749676 -2.743211 15.382693 -9.8792715 1.7696416 -4.1277976 6.607538 13.581256 8.344616 2.548737 -9.803725 -3.8089359 13.684187 -13.435002 13.155463 6.809848 -12.058691 7.276678 5.0778413 2.0039003 -17.08344 2.5586503 22.383348 11.028275 -0.88843256 -4.541209 9.185114 18.621761 -7.9631424 -5.2098227 -5.7284007 7.897298 14.170584 -7.5519066 -4.9779634 3.0698037 -16.252205 0.7400017 12.436112 -3.1635442 -28.841137 7.4400954 -6.821988 1.6822487 15.850941 2.1579888 -1.586731 -14.775009 -7.735075 4.307707 -1.8296956 -5.323811 12.613214 -6.602307 21.965662 10.078527 -7.3260665 -10.857314 -1.3978572 8.318238 9.484359 -3.0655775 -2.6416812 -3.36939 4.3132114 4.0307064 -3.8656902 7.728812 2.8711784 -4.1221 -15.607888 -7.2012835 3.5443678 -9.455218 -9.092521 7.7585406 1.9438461 3.4774766 5.205959 1.7155279 1.8740809 4.085953 -9.382737 -1.7917553 7.167105 -6.0965075 -2.494437 -0.50005084 4.650647 -13.845559 4.895955 9.587324 -1.936816 0.10643702 -2.9489255 -3.8744764 6.560594 1.6982267 -0.9539592 9.876866 -0.8407628 -5.47932 3.9642582 3.20109 1.547504 7.794503 -4.3858314 -4.713809 2.8135378 -13.482969 -4.969504 -0.26038057 -9.21803 -7.4155083 5.988757 -5.6307006 4.413985 -8.124932 9.339504 12.190831 6.088359 -3.3059106 -8.089229 -0.8622103 -1.8572392 -0.41071346 -1.584466 -9.163587 -1.4561954 -10.740061 -11.276116 0.017939951 5.3594055 -2.9096432 5.9252324 -0.029427566 -1.128488 -4.0707994 7.736348 10.837192 1.8919132 7.0545645 -4.35589 -0.65266097 6.8463936 -12.213237 2.093536 -6.809757 -2.2673554 -10.813954 -11.137284 3.953983 -12.486944 3.7816937 2.999753 0.73280865 5.0133457 7.819498 7.971392 -8.277729 0.309912 17.418137 14.491094 -2.3806214 6.705101 7.7630115 4.100511 -2.8917592 -21.298525 -11.019291 -7.786521 12.380002 10.730726 -12.838713 1.3919101 -0.7910627 17.702402 4.2812395 -1.6127963 -1.9694028 14.362278 -2.2827115 1.9678924 -10.474172 6.4194183 -6.017274 4.3373766 9.598492 Chaetochromin A is a biaryl that is 2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione substituted by hydroxy groups at positions 5, 5', 6, 6', 8 and 8' and methyl groups at positions 2, 2', 3 and 3' (the 2R,2'S,3R,3'S stereoisomer). It has been isolated from Chaetomium gracile. It has a role as a Chaetomium metabolite. It is a benzochromenone, a biaryl and a member of phenols. |
12695 -1.7223605 1.3751568 -2.0694575 1.8912187 0.4229572 -0.35587454 -5.3758426 -2.7533836 -2.3313043 4.0505505 4.186013 0.35000652 -2.4891918 3.7166204 -4.7024407 1.8442788 6.5827265 -4.150988 -5.4747915 3.9443777 -8.967391 0.38363183 3.929023 -2.4498115 -4.9390864 -0.7178933 2.2242386 1.6727711 4.759707 0.42366183 -4.7461276 3.732852 2.7081687 5.582171 -1.8842217 0.8283106 9.3272705 0.14573005 -1.4029279 -0.21088877 -2.827209 -1.5001689 -0.55626947 -1.3309195 -5.708081 -2.003821 2.6134396 -3.1608655 0.4556538 -1.8274851 2.6598468 6.10102 3.622204 -2.0990393 -0.5615618 5.3469186 2.4864407 -5.076393 -1.9549448 -2.5417109 5.12347 0.6857964 1.69861 -0.5393377 -0.20916095 1.4690151 3.767343 0.7549161 4.527841 1.2971451 -3.0903258 4.748293 0.19109291 0.759513 -2.728578 -3.6750758 1.7557665 -0.2893532 6.0876236 -3.3291042 6.1366725 -1.1198026 -1.571255 -0.51541567 4.4722924 -4.2013707 1.1166701 1.8598126 5.742359 1.747453 -6.7834916 -7.734169 2.909445 0.7155194 -1.3703252 1.6667958 4.8059926 -1.8599348 -1.940298 3.1240718 4.187162 -0.5568822 3.8395662 -1.5899701 -4.362632 4.4742966 -0.79238784 5.48603 0.33196592 3.731248 -3.9567885 0.092132896 1.0853856 -1.9027189 -5.6545367 -2.7365224 -6.945457 1.3520492 -0.23202506 -0.82361084 4.2487783 -4.998137 -3.4820309 -2.9766037 -2.8253527 -3.1041126 6.2400236 5.249506 0.60324717 4.5620117 3.4031065 -4.3449497 -8.028426 5.2722855 3.9320352 4.19706 0.5773594 -2.8522556 0.7706934 -0.15480873 0.047493584 3.6271698 3.9541757 7.4169755 5.1706657 -9.449559 -4.277428 4.6854444 -2.5974274 2.4643493 -2.1208327 -5.9455457 1.0355974 5.513567 -1.4003953 -3.090584 3.5819473 4.9774585 0.042491805 -0.8087885 0.5773051 -0.57552844 -0.40193644 0.82894313 -5.86424 -2.4924502 6.9225597 -2.1345544 -2.7977705 -1.71281 -2.7918377 -0.25968206 6.8974166 1.0093534 7.4078913 -6.444974 7.2152824 0.76793754 -0.9611831 2.8051026 7.573604 2.378475 -0.83420146 -1.7340156 6.0687923 1.3907808 -6.577445 1.1113108 4.456822 3.2479897 9.508365 3.9613965 1.2784224 -8.192916 1.1167294 -1.013345 3.3324306 -1.1374055 -2.8633766 5.6364264 1.3740098 3.1239047 0.5094889 1.5910828 -1.5270666 1.5165132 -3.9734573 -2.544167 2.9164312 2.1423929 -2.60078 2.2769454 0.8815952 3.4075117 6.7563725 2.9656937 -4.0650215 2.6630623 -6.5810637 -0.17273258 4.413456 -1.7954979 -3.3003864 -4.99189 -3.3979018 -1.5972532 -0.81674254 1.8558657 1.9943719 0.29329506 5.062075 9.749606 1.2326548 -1.8833351 0.5753102 4.300268 -2.9606273 3.8607588 1.0606949 -2.3058765 0.89557564 1.9055526 -1.1716121 7.820916 -0.36579412 -0.60360956 4.589351 4.0173926 -6.4025908 -1.0202274 1.7169653 5.9591393 6.821003 -0.28447556 -6.5045924 1.5713965 1.5318117 -4.4549527 1.4711303 -1.2673424 -2.3196278 2.1664395 -1.3454562 -0.310202 -2.776598 -3.8090224 2.2919118 -1.1279927 1.6428028 -0.7148305 2.1014173 0.3762531 5.615392 1.2621527 10.051899 -2.908163 0.026353717 0.17482485 -1.767335 -2.710806 -6.734325 2.4262168 -6.8503942 2.1502724 2.0518713 0.031192124 -3.92544 -6.5854673 -2.3165207 3.985674 5.2092476 3.1781747 3.9348526 -1.8330172 3.005455 -6.6087503 0.41960183 8.560501 3.1011057 2.6414728 Hexafluoroacetone is a ketone that is acetone in which all the methyl hydrogens are replaced by fluoro groups. It is a ketone and a perfluorinated compound. |
43184365 -0.10138336 1.8818297 -0.5235301 -2.1898496 0.30628255 -0.36223882 -1.5047343 -0.25531763 -0.97570974 0.29548806 2.214295 -2.93325 -0.5421711 1.6186695 -0.8628243 -1.1946087 -0.7075002 -0.34409544 -4.455357 1.8503643 -2.2094254 -1.1242372 -1.2320367 -2.7076106 -2.2722719 0.82271785 -0.8571687 3.887532 -1.5240574 -1.7395562 1.0996567 -0.32590243 -0.8649386 2.6989813 2.9401028 0.9301233 -1.4854136 3.8761375 -1.6329448 -0.39605734 -0.9530752 -0.42370117 -1.5526681 -2.202345 -2.309616 -1.1047293 0.4999814 -0.5551233 0.49123508 2.4535713 2.198746 -0.6082412 0.6858078 0.12549573 0.5099244 -0.5811857 1.0047232 -0.802478 -1.1336398 -2.7666981 -1.4621509 -2.7138922 2.0795934 4.484208 0.1269432 0.16615102 1.6107106 -0.92085373 0.42715722 1.2878263 -0.42943585 1.4319255 -2.1057835 0.5671449 -1.5128453 0.7650918 -1.8658264 3.2124784 0.48181513 2.864781 -2.2285302 -0.36146808 -0.5212765 0.6579936 0.5544408 -1.4163258 0.45875666 1.5297233 6.27938 -1.0991335 -2.170756 0.080752715 0.60781467 -0.09692247 -0.73901904 1.2033086 0.6384409 -0.33395958 1.6580898 1.7464752 2.1667678 0.31863782 -0.33046132 -1.2259479 -1.6421785 0.110093325 1.2648957 -1.873982 -0.81829 3.1355338 -2.0234883 -1.3251904 -4.2971835 0.6513007 1.6360253 -0.052836098 0.22024983 0.77139556 0.4720505 2.2780852 2.2149446 0.36969995 -2.949005 0.7474576 0.78353804 -5.6104374 4.7066793 2.4016871 -0.29562983 1.7347113 4.479726 -2.2654903 -1.7629095 3.3861911 2.0735795 1.0150641 -0.815036 1.5841887 4.6383276 0.74221843 -2.286235 0.5660658 -1.333498 -0.0043798685 3.640425 -5.1651745 -1.2430313 4.124972 -2.967132 0.8158289 1.3275704 0.8216611 -1.5162712 1.0784255 -1.3813032 1.910878 2.0280406 3.5069704 3.8478696 -1.6193721 -2.9368217 -0.80530685 -2.3549008 -2.1589286 2.6683245 -1.1392559 3.5104527 2.3474684 -1.9179758 1.9297583 2.474292 2.854025 0.72971 -0.86525315 -0.80900323 -1.9382402 4.752656 2.1012247 -3.2098358 -4.418062 0.3519277 0.33120915 -1.3612002 -0.9954863 2.3937953 1.4508631 -0.13175945 1.4955014 1.2839191 1.80866 1.1304384 2.8400397 -0.084792435 -1.0546439 0.16637498 -0.9222593 -0.44121403 1.2748483 1.1128528 0.27398387 -2.594985 0.338426 0.9474532 1.7996927 1.1845446 -0.5532601 -0.6313354 0.61316067 -0.67876285 1.0155978 -1.5258784 -2.0369055 -0.54615235 -1.662432 -0.9358405 1.558633 -1.0829028 1.992383 1.9893348 0.6762044 0.295761 0.26563632 -1.5402248 1.1698551 -5.35368 -0.28601462 -0.87564343 0.031765833 -1.1266276 0.91358477 0.9694668 2.6679494 -1.9240255 -2.559718 1.0582304 0.7180687 2.9095764 0.16736749 -1.2819321 -0.19795083 1.2968059 1.2594233 1.7050333 -1.0339055 1.5486509 -0.30802295 0.26627037 -0.6724619 -0.3391139 0.93703604 0.4056465 0.16020876 1.9892812 -0.4087341 -0.43726426 -0.13556202 0.6991197 -3.6009855 0.29636127 0.18454888 0.37139332 -1.0499212 -0.30680966 -0.67022747 4.1776667 -0.18496063 0.21084726 0.364168 0.50298697 -1.2293361 -1.2010932 -1.2414685 1.3882797 -0.7067237 4.070864 1.8644125 0.19734366 -2.3337505 1.1647911 -0.18138897 -1.1442491 -1.8148116 -2.596297 0.25589478 4.0036707 -0.31995156 1.0387101 0.05549143 1.4215038 0.0033977926 1.7969701 0.39058423 3.5185575 -2.2538233 1.9865607 -3.3034806 -1.230068 1.0770304 0.2247194 2.24898 Jeffamine monoamine is any one of a class of diblock copolymers with a structure consisting of a primary amino group attached to the end of a polyether backbone based on blocks of propylene oxide and ethylene oxide. Molecular weights are typically of the order of 600-2000. The compounds are used in protein crystallisation. It has a role as a crystallisation adjutant. |
74395 -1.815106 9.53444 -3.0954583 -4.414514 3.9940948 -8.651569 -13.2816925 5.5725417 -9.121283 4.8428965 8.309101 -6.223464 0.74408615 11.356968 6.677235 -5.752187 2.6410773 2.216903 -10.046901 5.6316843 -6.3123264 2.6828694 -0.5647445 -6.3160768 1.4208285 -2.2663784 -3.5408454 6.4090657 -2.400148 -6.9823947 -3.4150398 -0.8527983 3.4459734 1.5847163 -2.2121694 5.06859 7.048764 1.5778806 0.5453534 -1.1738915 -4.490685 3.7374134 4.19898 -3.6562846 -4.630047 -2.733175 12.933557 -7.057848 -2.1979814 -0.43712896 10.013941 1.0177634 4.1275754 2.8023238 -6.0163 -1.8683617 -5.6612725 -8.687093 -9.492009 0.6081635 1.4532086 0.39503473 -1.1821221 1.194092 -1.3615141 4.628412 -5.480351 -1.0825678 -4.4255137 5.6962905 -1.004619 3.2581625 -2.7801533 0.86588895 -2.4413052 -0.5511007 -4.0504503 8.316635 7.19118 10.231042 6.1615095 -4.0514874 3.7167015 0.5021089 -6.7150774 -1.2827046 4.069661 -4.8787537 9.972143 -2.009918 -2.541835 -13.356179 -0.08804939 0.2908466 1.353433 2.547743 -2.421117 -0.10177692 -10.559949 1.1715983 -6.388808 -4.4145727 -5.4250145 -2.7047763 4.5086102 1.694763 2.549665 -6.135668 2.973335 1.4328074 -2.169977 -6.1976104 -7.2268977 -5.4778748 10.225911 -5.1557693 5.9812174 1.7176647 0.6101954 8.348059 2.111057 -3.3957214 -7.7546434 -0.24704866 13.156233 -8.843234 5.2116632 7.028173 3.4210224 0.8435864 7.578351 1.0435945 -10.019381 1.473817 9.02204 5.2143 -4.5309114 -10.927865 -2.3541195 6.5872326 -3.049231 1.3913461 1.828809 5.491684 14.732101 -6.4161053 -2.2148218 1.4435117 -8.608579 2.8244143 17.007076 -10.629931 -17.437653 2.7130663 -4.448348 -1.2154276 1.4197881 -1.4388807 0.7733295 -12.537454 2.3435364 -1.8988004 -7.6002717 -2.5818915 7.729268 -3.5646987 15.1018 3.7575092 -2.3449957 -5.00319 -0.49513564 -5.8385973 10.469343 -0.5224622 7.429704 -5.5160303 5.2342715 -3.201716 -9.49433 -0.080607444 13.002909 -0.16974793 -6.252006 -3.5832949 5.9050355 1.1806341 -12.096881 5.8503337 -5.035528 -1.0938334 13.735983 -5.0816865 -2.5269482 -4.9170446 -8.661148 -4.7810116 4.413871 -0.433649 -1.4180179 -0.72460043 4.657834 -16.654589 1.8237873 3.469385 1.2745867 3.798012 2.0132499 -3.9611037 11.924504 4.9871087 -1.641326 13.090742 4.1126833 6.352722 7.7089844 3.1506538 -3.4569986 5.7408733 -2.657659 -5.121774 4.777388 -17.152754 -8.728517 -7.844044 -10.251624 0.78096 10.962499 -5.566271 4.317095 -5.081336 2.4528127 13.236816 5.4764557 -1.7410111 -3.998456 -1.090126 -5.666487 0.99814487 3.22985 -1.3072691 0.4035474 -10.363797 -8.1808405 0.54478544 -2.7979603 -3.4872742 7.0131083 -0.14456505 -8.473097 4.11793 1.8885095 10.938003 9.849762 -3.4071634 -6.14902 1.0369848 5.087249 -5.215303 0.39644167 -11.259301 -2.3994358 -2.011081 -10.380423 6.435572 -9.389014 -3.1605382 -6.6287193 2.5644152 0.42581874 8.806022 4.5142217 -2.8045578 3.4770598 13.336065 15.088102 -7.6078134 5.4437213 8.605057 -1.2471836 -1.6225975 -8.291994 -11.985577 -7.5788426 11.056662 4.7614756 -3.1282828 8.674507 -2.85199 4.7328362 -1.2046635 2.5297039 3.5193973 8.487723 -4.4332814 4.464038 -4.920095 1.0107073 2.8865306 1.0306878 4.991364 Tetrazolium violet is an organic chloride salt having tetrazolium violet(1+) as the counterion. It has a role as a dye, an apoptosis inducer and an antineoplastic agent. It contains a tetrazolium violet(1+). |
11048796 -2.0445018 9.079064 -4.078449 -3.559438 2.459019 -7.4703383 -13.889774 2.4669805 -2.820773 2.9851234 9.544342 -8.6373625 -0.31137323 11.712894 5.966951 -1.5333122 4.2039256 -0.67441964 -16.777964 10.020263 -8.366438 -0.8432506 -3.1824408 -8.418616 -5.5552306 -2.9553556 -3.577745 11.2224865 0.09684405 -5.5348883 1.4573978 0.2081013 6.4157925 6.9027634 1.8379195 5.037807 6.269951 5.198941 1.5161933 -4.9610667 -6.8890867 3.7745101 0.2177284 -6.194766 -2.7586985 -9.484633 10.303862 -10.004654 -0.76062536 3.6813788 10.405023 0.3502128 7.3942356 4.6818686 0.45333305 1.1840415 -4.52643 -5.8169904 -9.296709 -2.526617 0.3835712 -1.9804953 -1.3691674 6.7794 -1.088439 2.1494856 0.69531304 0.5879443 0.7840186 5.95848 -1.9389595 3.736527 -4.809379 0.86516804 -4.5157623 0.58222616 -6.42515 12.923725 10.521612 10.03314 1.7794707 -5.417218 2.892527 2.4565706 -2.2508113 -3.6757028 2.1684432 -3.843608 14.802578 -3.4013243 -5.8814807 -11.420275 0.81884104 0.39174485 -0.21063267 2.4280288 2.3176222 -2.275296 -5.326767 1.2703837 1.7157363 -5.668229 -8.104119 -5.6025705 5.838745 3.5729852 3.629325 -5.1039457 1.7520667 5.2138634 -3.5186036 -3.202494 -7.0805464 -3.8793752 8.049445 -5.563208 2.221323 3.6327393 3.1604328 5.9392853 5.181283 -5.1081424 -9.304973 -1.2258867 11.149737 -9.920372 12.070608 6.706869 -0.45016423 3.177895 6.3230762 -0.7013402 -12.954729 9.088788 11.369483 4.552289 -1.5598003 -8.043482 2.8860722 7.421821 -1.3517394 0.29164594 -0.48603246 6.1337442 12.130986 -11.690293 -3.7598298 5.867926 -11.67611 1.7138354 10.096829 -5.929447 -12.906189 3.6274948 -1.3005193 0.57227755 7.779891 1.9912803 2.8921041 -10.460137 -2.545873 -2.903553 -8.461051 -1.4822559 5.4283767 -7.1661086 17.660662 6.928593 -3.4699502 -4.6440015 -0.670007 -3.7089283 12.303095 -3.7281463 5.987145 -6.076819 4.9075074 -2.8928845 -6.1095424 0.64329904 7.9698067 1.2253486 -3.5531158 -4.4747963 8.927466 2.2267492 -9.851094 4.4185576 -0.7704126 -0.4122018 13.111356 -3.1090574 -1.5682287 -4.9138803 -6.027263 -4.5487676 2.0519698 -3.748396 -0.16638146 -1.0711955 3.442931 -8.822836 4.578536 6.426126 1.7800257 2.4684494 -1.8659563 -3.4856482 8.622361 5.4467835 -4.450271 10.06719 5.8898587 5.3529162 9.071701 5.8787465 -3.0935962 5.6494513 -4.026224 -1.3628762 7.5716186 -17.476927 -9.489901 -4.8119287 -10.300092 -0.75880206 10.628419 -6.512274 3.7964418 -5.163128 2.119069 13.581085 3.6927319 -3.6227033 -1.5482144 3.8201993 -2.9312885 3.1468754 -0.60115546 1.3670267 1.9931391 -10.093074 -4.696289 3.215791 -0.8944127 -3.2669685 7.585483 -0.8710444 -8.841419 0.57438517 1.6471225 7.8063607 12.516749 -2.816791 -9.058634 1.5449173 3.7702675 -9.288924 1.9619089 -8.932117 -5.5841184 -2.9717424 -6.59036 5.5280223 -9.142658 -4.4937153 -6.8983293 3.3871305 1.1579286 7.8876896 2.651797 -3.523996 4.235485 9.671888 19.302849 -11.321003 4.0611286 6.086856 -2.1827543 -1.0710765 -11.947731 -9.32518 -9.471749 10.428665 5.6209536 -4.69186 5.608349 -4.6383667 3.5994473 -4.2863703 4.7416363 2.4879897 8.817606 -6.3740225 5.2418623 -7.4866076 0.4498201 5.5624847 -1.3003606 6.872139 Fluoxastrobin is an oxime O-ether that is the O-methyl oxime of (2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methanone. A fungicide used for disease control of potatoes and a wide range of vegetables. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agrochemical. It is an oxime O-ether, an aromatic ether, a member of pyrimidines, a dioxazine, an organofluorine compound, a member of monochlorobenzenes and a strobilurin antifungal agent. |
132472346 5.8997293 10.386552 2.4309921 -7.559585 -3.9389749 -8.160744 -8.119836 3.1263552 -11.251069 8.093598 14.068089 -7.219669 4.889278 3.4613256 2.3829868 -5.8257523 5.0240364 5.5446873 -15.705998 4.109528 -4.2251844 -5.275466 -1.5155683 -9.725602 -7.324025 5.7971144 5.823898 12.265184 -5.4710402 -8.511163 -0.59635866 -6.4450445 -4.593256 5.669187 15.219905 8.017664 0.034751944 7.5084715 -0.5515307 6.018558 0.740315 -7.906089 -0.9589366 -0.6645427 -7.893154 5.0040345 -0.94691896 1.990442 -3.8546846 2.8217294 9.381794 6.295568 6.283682 6.3359165 1.9696966 -4.51702 -1.612902 1.602069 1.0755751 -5.5747137 0.8852492 -8.776153 -1.1032333 10.448214 3.1406598 0.54795253 4.197825 -0.40754646 4.978655 -10.172377 7.0007057 -0.30748826 -6.333374 0.5574336 -3.0677884 2.8994987 -5.5282836 7.7269864 3.3651173 4.184068 -4.4028134 0.25537747 2.0917947 10.926919 2.4045248 -2.0715234 -2.88269 -0.41459176 10.802384 -5.840433 3.5179143 2.624225 7.40083 -2.2260485 -2.1545358 2.4929564 -1.3878813 1.2894726 -0.9331034 3.6713011 5.9618692 0.0719143 -6.553635 -2.8813975 -6.3861995 5.280539 -2.5129867 2.604745 4.516261 5.6166406 -5.1631255 -0.6482923 -12.237893 -5.9302936 -0.13520585 0.892193 -8.610419 7.793387 6.7368937 10.382924 14.135274 -0.6076557 3.2448776 2.4107642 8.883986 -17.895489 10.01676 13.384735 -4.8743973 8.690038 10.118516 -5.6623135 -5.3342633 2.7397335 8.905777 -6.2510576 2.7780635 -0.5440008 13.828397 3.500743 -2.6296868 0.3197192 3.95466 6.1905837 9.762406 -16.04092 -3.9261167 8.77275 -6.924941 -2.517231 -2.094815 -2.3967066 -11.528698 3.369945 0.3663587 -1.0866215 -0.35035837 9.634077 14.470282 -2.2240994 -11.450406 8.22468 0.16036153 -6.268102 10.060456 0.79076844 3.3435614 10.440397 -2.6904151 5.9940977 -1.1896834 11.306037 -1.2888117 3.0719907 -2.9814825 3.5563192 13.585081 4.5911508 -5.530565 -6.882983 2.0974927 2.5103364 -8.500265 -0.37048987 6.4691315 2.5743983 -5.6668434 -1.2933235 3.7023518 7.47305 3.709776 12.789089 1.4452176 -3.7471657 4.2360673 6.8183384 7.651321 3.3469925 6.072516 1.9411612 1.7693748 3.1587684 2.2783992 -0.45143074 4.019645 -5.2694206 0.85428953 -6.1895823 5.109235 -3.2903035 -1.2067027 2.7402976 7.911608 -7.474581 4.563065 -3.499505 0.5659902 -7.1135416 6.6128664 -3.9278667 -2.7753325 9.276768 -5.1071043 3.8551462 -15.665512 4.4429765 -7.986278 -0.881834 -5.11219 6.783985 4.173523 2.649327 0.21357 -4.5334325 4.8799644 -3.4990928 7.264262 -4.8642945 -7.6898375 -9.029915 -3.6861606 -2.5658674 1.7436326 -5.445871 2.025013 7.0894504 -4.189914 0.42973408 -4.625827 10.924361 9.165149 2.962471 0.14918076 3.755401 3.2514818 -6.3676443 10.323117 -1.076879 -9.807724 -5.874923 6.1933503 -6.5528684 -3.8184252 -4.5748396 1.5362782 4.242662 9.41697 -3.0673206 9.623282 -3.1242177 -4.420397 -2.9181268 -0.25696316 2.5528684 0.109061405 13.455792 0.12151717 2.8134453 6.9350524 -4.566881 -8.32828 7.8307443 -4.2993097 3.135691 9.500643 7.130578 0.2956972 -2.3885076 8.789265 8.381883 6.8917303 3.0276508 5.0781736 -2.9631083 1.6684921 -1.8155744 -0.13645211 3.2031016 3.6499066 2.4215457 13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoate is a docosanoid anion that is the conjugate base of 13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a docosanoid anion, a long-chain fatty acid anion and a hydroxy polyunsaturated fatty acid anion. It is a conjugate base of a 13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoic acid. |
11354606 12.611412 17.432978 -3.9077299 -0.042099595 -3.466984 -16.110697 -16.343967 -1.720459 6.5402837 12.133933 5.503201 -3.5838902 -9.711261 23.275291 0.15982746 -0.59108907 18.811836 -4.0986533 -29.716078 16.642998 -10.943033 -19.234095 -26.3025 -2.8273115 -20.765015 5.399581 0.15463084 22.792171 2.0219455 -6.3998375 7.9668956 -2.3458507 2.7651472 14.115659 28.341679 -8.509257 -2.957303 11.931945 -8.298765 -7.908645 -14.181488 8.78426 13.848514 3.647819 -3.2947962 -14.852205 4.073238 -4.021126 -3.002379 16.3994 12.700462 -9.860751 11.34313 -0.4096066 10.720571 9.197462 -1.4212058 10.971525 -6.9190636 0.5921232 11.2421055 -11.079321 -6.528177 25.627745 -4.567207 -5.3243012 6.897442 11.820483 6.797268 -10.493975 -4.2516084 7.415927 -7.0768824 1.8614779 11.200265 -5.625748 -12.46512 20.334131 4.4796743 9.898875 -17.699286 -4.3612404 2.943405 10.985025 4.199503 -12.316019 10.656191 -9.254603 20.387491 -10.174124 2.4599006 2.1088154 -6.18252 4.9817796 -11.703992 1.2001114 -0.3651204 -2.6847174 -0.8026179 -7.008615 9.555407 -11.591582 -20.719093 -1.6146325 18.243908 12.149593 -5.088499 -8.516826 -7.8025312 9.13129 -5.620241 2.3326735 9.46936 0.31416988 20.470472 -15.820233 -6.929376 -1.2030007 21.402147 8.883617 4.1751328 7.4352856 -14.087782 -7.0790186 17.438004 -28.005018 24.45838 5.4967804 -14.092251 14.329178 3.449627 5.621098 -22.326641 17.540506 30.269285 0.5969896 11.018923 7.963579 11.248996 18.188496 -2.7127159 -5.970962 3.0450127 12.298922 9.903134 -3.341265 -10.262696 21.19201 -18.424885 1.2513969 2.0531673 3.7366755 -14.543813 5.63451 5.165591 -2.218318 19.348007 14.470158 12.0193205 -10.282696 -23.488123 0.8706062 -13.94472 -8.036955 -8.039827 -5.7107563 29.655798 11.286947 -12.407542 -7.026779 -3.249228 6.953324 7.104372 -3.6353145 -8.745613 -1.1922048 8.678147 16.906664 0.47677258 8.6776905 -9.539511 9.127166 -15.233799 -0.855689 9.365359 -3.2202814 0.41531932 -9.2635355 11.834734 1.1208816 11.643434 8.424968 2.5528438 -1.535229 -0.6930554 9.11262 8.390787 -1.2840285 8.721404 8.704169 6.1599894 -4.386278 8.216327 20.515665 15.051021 1.1944473 1.3006858 -7.120379 1.9500936 8.406549 5.7036223 -7.059983 -10.2223015 -13.670888 -4.5320163 11.711137 6.008057 -9.59715 0.67502975 -5.572201 4.9128156 -12.476431 -1.2145057 8.320216 -10.136044 -13.5375 -14.874805 -4.538392 -0.95945555 9.764517 0.9362008 -4.4784384 14.699505 4.1387024 2.896437 5.2546043 13.213573 3.2552974 -10.087218 -15.510399 -5.8354516 -13.538353 -11.549768 -1.0144227 5.2360926 -2.520583 3.4950767 -2.3932376 -5.433478 -13.547003 12.308334 7.6033463 -4.456519 7.870963 8.029986 15.3607 11.942589 -18.093098 -8.794965 2.3842235 -15.384485 0.8279051 -4.359219 -3.8774312 -10.389848 -10.3622875 4.639214 -5.612768 14.802657 4.1077123 -5.1588373 -1.668606 -2.0002618 2.4426663 21.77666 4.151778 3.7102122 -5.497384 -3.8467805 -2.4638093 -17.182718 -10.458388 -2.4503305 8.57499 4.462162 -18.268888 -24.96384 -8.040711 18.23097 3.0913634 1.2826619 -7.519373 31.365524 -1.0440307 -0.93724704 -25.728592 4.5877185 -10.303596 -1.5576612 14.393859 Eribulin is a fully synthetic macrocyclic ketone analogue of marine sponge natural products. Inhibits growth phase of microtubules via tubulin-based antimitotic mechanism, which leads to G2/M cell-cycle block, disruption of mitotic spindles, and, ultimately, apoptotic cell death after prolonged mitotic blockage It has a role as an antineoplastic agent and a microtubule-destabilising agent. It is a macrocycle, a polyether, a polycyclic ether, a cyclic ketone, a primary amino compound and a cyclic ketal. It is a conjugate base of an eribulin(1+). |
70698391 0.9830748 3.8557124 -1.931303 -4.0014405 -0.16221635 -3.1556506 -3.1883078 3.4067247 -2.1744847 3.0075557 4.874058 -6.3746934 -0.92002356 3.8600523 1.2710855 -2.2390473 4.4775443 0.95832896 -8.661722 2.7186487 -3.1306498 -5.1306896 -3.5465217 -6.511085 -1.9975139 2.514428 -0.416798 8.913771 -2.6495957 -5.2169666 1.5781186 -1.5478724 1.739238 5.870418 3.3201895 2.7760365 -0.8078904 7.018043 -2.7431462 0.4793722 -5.146889 2.7562284 4.586502 -3.5287511 -4.4961486 -2.2911966 3.0131721 -0.77456224 -1.6412394 4.603766 5.809546 -1.0185652 4.514155 3.1381874 0.6521826 1.1880255 -2.0199733 -0.11568237 -2.0491927 -1.3968225 1.4151807 -4.075617 -1.5327414 8.059212 -0.61253196 -1.0969903 2.3369484 -0.24773741 1.4917402 -0.16877681 -1.3513796 0.6523111 -3.3093092 2.0668027 0.07492608 -1.2861341 -3.2076936 6.234215 4.0381436 3.961429 -1.4525006 -3.0189512 0.3580367 2.6565216 0.05072707 -2.7735293 0.5120987 -1.2344725 8.647763 -3.3698547 0.08594428 -1.6376619 0.01697737 0.16480413 -0.28337964 1.4847883 1.1259232 -0.86803293 -2.7402842 0.17240998 1.2496574 -3.746411 -5.4159284 -1.7710751 1.8050812 4.7882814 -1.6669605 -4.678679 0.52913284 6.617324 -4.010438 1.1145737 -3.4381366 -2.1258516 5.9449058 -3.563015 1.6169367 1.1980411 2.9527707 7.0342064 3.1477208 2.0979369 -4.852131 -0.7829468 6.5889072 -10.135924 6.3727546 6.1599236 -1.2102382 3.8366036 4.1246448 -1.5118656 -6.3197117 2.84256 6.8581204 2.8632073 0.6553127 0.028877094 7.15796 3.734293 -2.8118598 0.42682016 0.11991796 4.0461884 6.9276333 -9.023155 -4.1856594 5.736404 -6.369322 1.2201976 3.0368376 -1.9440818 -7.245768 1.4988693 -0.62408614 0.9473814 5.22437 4.07463 6.4416957 -4.729682 -5.8371367 -0.71645874 -4.084495 -3.2369227 2.2923462 -1.6273587 9.878484 6.118695 -5.6783557 -1.5200061 2.0068934 2.8808916 3.724789 -1.5296919 -0.97512937 -2.994856 4.990177 2.4536428 -5.914958 -2.197189 1.4717222 0.40664816 -6.561514 -0.20535615 4.4773927 3.000208 -4.4149065 1.0302995 1.0479175 2.2220979 5.995689 2.056425 -0.3538118 -1.6740243 -1.3760716 -1.2039189 2.8000019 1.7668059 2.152056 0.17215902 -1.9942153 -1.7430204 1.6659276 5.642651 1.6168895 -1.3167802 0.6502759 -0.48478436 3.1220758 2.8309205 -1.9572312 1.905052 0.5575153 -5.015644 4.4998446 1.2915428 -2.2550454 0.06883472 2.191372 -1.1490912 2.6850746 -3.5669909 -7.380583 0.047832936 -8.5359745 -0.8686008 1.2525331 0.861187 -0.992857 2.3803773 0.66343373 5.2370095 -0.55344963 -3.267719 -1.4331874 1.5001172 2.3856082 0.96197057 -3.3424168 -3.583213 0.5210655 -2.3714833 -2.1081629 0.45013332 -1.0445069 -2.4798098 2.8166432 0.7302601 -4.176944 1.2225795 3.386328 2.477453 1.5770385 0.89580476 -3.0853193 1.2165587 5.0926914 -5.7631083 -1.924944 -4.849346 -2.48965 -3.7062984 -3.448441 0.3798107 -2.8537695 -1.9543195 -0.32037237 -1.4254117 3.2920446 -0.22152044 -0.16810447 -2.3698113 1.658916 5.7242217 8.369028 0.58699334 -0.5390733 1.568704 -0.20485672 -1.283953 -8.032977 -5.353231 -2.5697849 2.7913551 3.1986654 -2.7149615 -0.83126396 -1.2015998 7.695521 1.9892678 5.27728 -0.68380326 9.21925 -0.28843993 1.498349 -7.601411 2.4379869 -1.1014276 2.75454 5.8916316 6-[4-(5,5-dimethyltetrahydrofuran-3-yl)phenoxy]hexanoic acid is a monocarboxylic acid that is caproic (hexanoic) acid substituted at C-6 by a 4-(5,5-dimethyltetrahydrofuran-3-yl)phenoxy group. It is an aromatic ether and a monocarboxylic acid. |
447364 0.13976935 4.2818747 -0.40816993 -2.8005838 0.79727244 -6.155557 -2.753948 3.1930718 -1.0107064 1.9164056 4.71682 -5.273645 1.0410213 3.1907618 2.3090591 -0.9676441 0.7449937 0.2721831 -5.2861037 2.995469 -4.2755656 -4.486225 -0.27987963 -5.0909243 -0.58165365 0.07185531 0.08680934 3.9683528 -2.3410964 -2.8954558 -2.3939226 -2.1580539 2.5225596 2.342268 -0.2461437 4.3271985 0.12919024 3.8701124 0.65621555 2.8528306 -3.0214887 -0.60143447 0.83499146 -1.8683779 -1.3667461 0.53617793 4.86654 -1.9714999 -1.7075986 2.4943259 4.5300007 0.22994411 2.3295894 4.224552 0.353543 -0.41170534 -1.0417778 -2.02709 -2.6331074 -0.090040885 0.14181831 -1.5063922 -0.14888495 0.49715728 -0.42056617 1.2226186 1.7070947 1.5890424 -0.06176363 1.5414791 1.7695805 -1.0934289 -0.070500486 1.2234771 -1.6476585 -3.5592082 -1.9634976 3.0942562 5.5281405 1.9014626 0.37964812 -5.0175767 -0.925998 0.16813003 1.5453863 -2.3172786 -1.0780926 1.1647577 3.1320732 -0.18139423 -0.6207534 -1.3176004 -0.25939876 1.0847515 -0.20921779 1.2801046 2.173023 -1.8926866 -3.4783473 -0.14560264 -0.19425479 -1.5055025 -3.8322926 -2.1327646 -0.3635525 -0.1276528 -0.34536695 -3.003712 2.7771175 0.2868122 -4.399223 -1.1599908 -2.179371 -0.5216296 2.080308 -2.1354406 -0.04703951 -0.30325526 0.82138276 3.9951944 2.8668063 -0.15542935 -4.5092764 -4.1741853 4.4984517 -3.0010464 3.1177838 4.492357 -1.3441623 0.77404165 0.83190835 -1.716639 -4.4339805 1.1787786 2.8722644 2.8954186 0.047545537 -4.1430197 5.585448 2.0159078 -0.04472328 -0.52186835 -0.9220649 3.561318 6.8759418 -4.399054 -1.0762045 3.8668401 -2.816679 1.1565973 4.4012356 -2.6686776 -6.2467647 -0.96484095 -0.6586206 1.6370804 4.329288 1.6394435 0.7229275 -1.5385357 -3.7440572 0.3884154 -2.661238 -1.4616845 2.7874506 -2.8804467 7.059517 2.9471955 -3.6526334 -2.9341195 1.5299857 1.7157501 4.7757254 -2.1219442 2.6532614 -0.9083597 6.558722 2.1391408 -3.4340947 0.805898 3.6781802 -1.4525868 -5.275554 -1.1927618 2.1886652 1.1724527 -4.5232596 2.2257047 -0.18289244 0.7726697 5.1722407 1.9877244 0.01583915 -1.636751 -5.961518 0.17928705 2.552793 0.08096295 -0.61464095 -1.8026941 -3.5109975 -4.786924 2.1694427 2.6432042 -0.93211323 -0.90918344 1.2961069 -1.063936 3.4295404 3.5891933 -1.6390094 4.108226 0.2888518 0.63335085 3.1049013 -1.4998548 -2.8467925 -0.0988833 0.5385383 -1.8113616 0.827962 -2.4916167 -4.1522098 0.020052254 -3.7223084 -0.81988794 6.233893 -1.9276419 -0.0068937764 -3.558838 1.5342623 5.5458283 0.53715813 -0.78828984 -0.523269 0.7317182 -1.3884171 1.2150406 0.5944849 0.13888042 1.7645928 -3.2208533 -2.8755407 1.1225713 1.6193501 -2.5808966 3.1743517 0.38970643 -3.4377627 1.6833519 1.6995114 4.768549 2.0151923 -1.0320934 -4.214416 -2.0099819 3.7799551 -4.1169415 0.49010864 -5.2699585 1.5475851 -3.8477564 -1.1613209 1.8945647 -4.1755466 -0.47141287 0.4765142 0.7389126 2.1187656 2.2126393 1.1467705 0.79221344 3.1568835 7.023252 6.705967 -2.1889286 2.891397 1.4645867 0.43299156 -0.81138235 -5.7639875 -3.2593462 -2.4636533 2.1853535 4.03756 -2.7668414 2.2576814 -0.116589226 3.421837 -0.35774684 5.3128543 0.46244705 3.3517888 -2.6548288 2.5786562 -2.0654657 1.1400776 -1.047193 3.1591406 2.483747 (4-hydroxy-3-nitrophenyl)acetic acid is a monocarboxylic acid that is acetic acid carrying a 2-hydroxy-3-nitrophenyl substituent at C-2. It has a role as a hapten. It is a conjugate acid of a (4-hydroxy-3-nitrophenyl)acetate. |
477468 -10.180574 20.744865 -13.1438055 -2.5872464 -2.487046 -29.109154 -17.22847 5.0701146 -3.8138156 8.32358 10.266256 -27.141232 -7.238504 22.041298 3.6766515 -1.0848724 8.271767 2.1280608 -42.239914 17.819653 -23.30401 -20.76724 -9.719041 -23.645828 -8.4876795 5.5835643 0.90477973 25.095936 -12.853138 -15.00567 0.1584073 -9.499411 8.757502 24.011995 17.511133 13.006651 -7.4237914 8.439537 -9.707564 0.8752583 -9.8549385 7.1345534 -0.17461723 -4.7151074 -14.826129 -11.515838 15.4484005 2.3709111 -0.56829774 24.044558 20.131903 -1.1259732 16.396887 9.410865 2.0110846 -0.7471574 -6.5430617 -0.07560013 -11.627305 -6.4159756 1.1790808 -7.81522 0.58820915 17.27967 -10.360514 0.1437037 13.281066 11.670843 -3.0945663 3.5386746 2.527502 12.101717 -15.020273 -1.6146867 -1.8630308 -11.099767 -24.89478 31.9422 22.782795 25.27124 -4.217675 -19.822681 3.404476 17.131552 3.5142212 -10.92366 12.067711 -1.0322168 37.26236 -15.22598 -5.737556 -17.697601 -3.8984547 7.180355 -7.942725 14.297874 7.1058125 -2.268091 -12.062285 -0.093417116 0.5872828 -12.548185 -31.515175 -8.526383 28.571064 1.7561861 -5.3701982 -6.8196025 -3.5512168 21.445768 -20.50972 -13.383222 -14.022569 -6.584498 31.845848 -16.17158 6.1210885 8.632054 15.901642 24.25673 9.905132 -2.666492 -29.60038 -8.456211 26.930975 -28.475943 37.34465 22.211727 -9.698727 17.139053 21.114681 -2.0863855 -28.99172 18.926125 39.16701 4.224194 7.693092 -5.8511577 21.09224 21.361929 -10.208649 -9.174061 -1.3272067 18.921434 39.449444 -13.149528 -11.420472 21.997015 -21.73499 -0.13816267 21.65414 -6.257767 -42.414356 4.441845 -3.1698554 -2.9253702 33.067898 10.642251 16.9461 -24.944952 -19.606071 1.4176362 -29.372492 -7.268082 14.962861 -14.570892 44.947746 18.44799 -17.145395 -14.577511 -2.1848176 13.354911 24.196424 -7.776482 -0.74254525 -9.203194 22.176609 24.82003 -14.314176 2.5826666 2.404689 0.60166585 -22.640308 -7.9841304 16.262802 -7.480713 -7.2741838 8.871581 12.225587 4.09421 26.47674 11.024571 6.5956726 -3.0665374 -12.509266 6.1481905 13.496445 5.132527 -0.7407032 1.1980823 1.7976604 -24.793749 12.020188 19.429869 9.094616 8.402658 1.8431532 -10.728102 12.119406 10.989577 10.0817175 10.842405 5.13157 4.003897 14.089767 15.032618 -3.1405258 2.9412744 -7.1070747 -10.952257 9.508142 -30.18296 -16.77001 -2.1052742 -32.86743 -12.417613 5.989463 -7.9762144 -4.2366037 -0.58738375 2.5081933 20.308018 7.2034173 -3.5749545 -1.7211418 -1.3103366 11.423361 3.1054616 -3.229767 -9.67999 -0.059260126 -19.711147 -11.008817 -0.14095551 4.422795 -9.517956 10.204267 -3.252387 -11.825245 1.0634809 23.445961 17.258503 1.304576 11.554086 -13.026994 10.048529 17.258398 -23.065845 -3.5335917 -11.058588 -6.248947 -15.726118 -19.503582 6.430988 -17.486547 -2.4988625 0.8183601 4.8883724 14.493108 11.920433 5.749017 -11.719933 -6.5263343 19.426521 34.904675 -3.0200925 5.6171346 -0.24119774 0.7495557 -9.682085 -28.435953 -18.176111 -9.727625 19.839712 23.898819 -18.519173 -3.054942 1.0478892 28.099005 1.4540524 6.2517095 -12.3937 38.513977 -14.434465 3.47442 -28.5924 6.852061 -4.9217806 4.103023 15.808406 Micafungin is a cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall. It is used as the sodium salt for the treatment of invasive candidiasis, and of aspergillosis in patients who are intolerant of other therapy. It has a role as an antiinfective agent. It is an echinocandin and an antibiotic antifungal drug. |
3806114 0.95682335 3.2310512 1.7445613 -2.5888937 -3.6628575 -6.08435 -1.064798 1.1561786 -0.76686984 0.9735546 3.507904 -3.1463256 -0.07320411 -0.65738285 -1.7621169 -1.1850617 -2.3435683 -0.37231016 -3.9711175 1.7327017 -4.8849363 -4.8535857 -2.309745 -3.4400563 -2.2294655 1.6191363 1.9733675 1.597479 -1.0233334 -3.3502893 -1.5371509 -4.1975837 -0.3437047 1.7145791 2.2259812 2.2264547 -0.64238495 2.0695016 -0.8811295 5.9136834 -2.8892002 -0.8457745 -0.16613759 -0.09336666 -1.4778111 1.791502 0.2772132 0.55515647 -2.9828825 1.627739 4.9063883 0.84636104 0.7425631 2.1652184 3.14814 0.49749386 1.7100481 0.5535369 -1.1031228 0.34568417 -0.05434961 -1.5345215 0.80204964 1.3102605 -1.2733207 1.3995967 2.8282702 0.34815353 0.12548871 -0.24607033 2.0692852 3.346807 -2.7747784 -1.2063475 -3.3329284 -1.2290788 -2.611821 -1.1857864 -0.5817839 2.3102148 -2.539394 -3.9417455 -0.9618355 0.29822835 1.0490973 -2.90814 -0.16647708 4.037598 0.7664951 1.6132612 -0.6423051 -0.91980463 -1.4090339 1.7323656 -1.4259226 2.7512493 1.1591353 -0.64114356 -2.8599126 -0.101395026 2.602023 -0.9125524 -2.718357 -3.1382236 -0.88069195 -2.2664928 -2.2047284 0.43372113 -0.38821635 0.8838923 -0.8272453 -2.8689237 -1.279813 0.6501758 2.7758367 -0.3884016 0.60560626 0.3813731 2.341258 1.061172 2.3516805 -0.99280167 -2.8491 -1.6712241 0.22339314 -1.648576 3.1959553 5.154441 -0.47243297 -0.37295583 2.8768487 0.7632929 -3.3558898 1.3138931 3.1195176 0.43635428 0.25414473 -1.2527664 5.269943 -0.9571669 -0.6330516 -0.4096551 -0.11774543 3.6639767 4.577417 -4.0430136 0.32043898 1.3506117 1.3717782 0.19832042 -0.2799471 0.9679028 -3.8053064 -1.2696869 1.8815565 0.7722791 3.9328363 0.86832225 1.4199809 0.048829094 -3.6522138 1.5820016 0.2446892 -3.168964 0.6762136 -3.5935159 4.1082244 0.50121087 -2.1864738 1.3927033 -0.70164865 2.751063 0.91339064 -0.27693057 -0.4603057 -0.3338164 4.291663 3.8525252 -0.62797004 -4.930744 2.2384167 -0.37426695 -4.00471 1.4406258 0.2117685 -1.1577743 -2.0612674 0.6850828 1.957212 1.99938 3.1650434 4.4852867 1.4508861 -0.80850613 -1.9358245 1.3563521 2.0379782 1.1113317 -0.92580867 -2.0327184 -2.5278633 0.8357602 1.7726154 2.3079278 0.8843746 -0.849975 1.5887132 1.1051649 2.7089033 1.8751763 1.1604743 -1.4338596 -0.65380526 1.3193021 1.8549263 1.0132916 -3.5495653 -1.2602459 1.5367948 0.21917899 -0.05140304 0.86054844 -1.3430399 1.7400609 -4.6597033 -1.0001851 -0.21140352 0.9769608 -2.8227253 1.6467724 0.46206012 2.9099474 -1.9715406 -0.3356218 2.3076785 -2.150344 1.6355803 -1.5633893 -0.75572205 -0.5517819 1.6025838 0.012055986 -0.51445913 -0.74446607 3.340004 -1.5440537 -1.0980074 1.52848 -1.4401191 0.6913587 3.3863773 2.0665772 -1.3829656 3.0027645 -1.393655 -0.10968253 2.2282164 -2.1690645 1.3209841 0.75896853 1.769414 -2.4825811 0.53810674 -0.63261396 -0.89814436 1.6645943 1.2672828 0.3413314 3.5504758 -2.8711164 0.71545184 0.55560684 1.1282864 3.4389257 4.4516387 1.782428 1.886488 -1.9578388 -2.198005 -0.81141603 -1.1681021 -0.47031415 -1.7057183 0.002986337 3.9305902 -0.59914947 -0.24007344 0.2765262 1.8166579 0.47848368 5.7110796 0.19442217 3.2508094 -4.022883 -1.370629 -3.3865323 -2.2989411 0.26674455 4.390407 0.91768014 2,3-dihydroxybutanedioate is a tartaric acid anion that is the conjugate base of 3-carboxy-2,3-dihydroxypropanoate. It has a role as a human xenobiotic metabolite and a plant metabolite. It is a tartrate and a C4-dicarboxylate. It is a conjugate base of a 3-carboxy-2,3-dihydroxypropanoate. |
131801236 4.580588 12.22692 3.5880585 -7.8176622 1.3714411 -9.695205 -3.708696 7.334936 -3.653879 5.8196115 9.58528 -8.36476 0.9664378 -1.8310325 -0.8439151 -3.914493 1.3886731 6.298464 -15.796881 3.0557964 -7.5732923 -5.9471903 -2.0417314 -13.834554 -6.741861 6.445311 1.0967883 11.4288225 -7.387135 -8.254602 1.1725513 -5.7597113 -3.8566282 7.925376 12.128741 7.909213 -3.5020719 16.229298 -3.1935394 5.0213165 -3.408198 -6.821582 -3.2550945 -5.9023037 -12.39768 1.5291579 -1.0058864 4.9845257 -1.3885736 8.493447 10.870065 4.858312 7.9725 6.509794 7.4711375 -8.514383 1.8238602 0.5101355 -2.30225 -6.7425036 -0.5583801 -13.96141 4.882014 16.816027 4.7410073 0.30925488 2.8583353 -3.5055995 6.830496 -1.1778293 0.86610305 1.3946505 -8.448046 7.0566673 -3.2764015 2.3928895 -5.5245337 9.734009 3.5376492 4.2616224 -8.114679 -2.1539726 1.3944604 7.6363363 1.8926872 -1.7135448 7.225736 6.5052185 17.380148 -8.129056 1.5069937 4.518433 7.2452335 -2.124007 -0.8284945 0.7949006 4.46586 -1.2283431 7.1620135 6.756079 8.814476 5.5679617 -8.049985 -3.1995203 -9.403197 3.3034878 0.4964238 1.9480997 4.1574597 11.054045 -6.337516 1.7316042 -11.681019 -2.4193265 3.9279332 0.13803682 -6.4649296 4.8903985 8.1009655 9.714914 14.520839 4.3248177 -10.329118 -0.656986 6.6463575 -18.657389 11.826756 15.747322 -1.4919217 10.868216 13.067834 -5.606194 -7.5076256 7.2799754 13.178043 -3.6234295 4.5439386 3.68115 18.916815 2.824098 -8.0836735 -0.50113136 -0.6781366 6.852745 16.83761 -20.346004 -4.145992 16.00625 -12.486052 2.7141354 5.3213177 0.82984823 -12.807031 3.377312 -5.141959 5.653184 9.587211 16.077417 20.178825 -3.5594215 -14.444775 2.6661286 -8.745939 -8.355942 10.466941 -0.5587731 12.447874 9.456395 -8.32172 8.928414 6.7850986 12.280263 1.1424613 -0.69263613 -4.338534 -0.78309786 19.765785 8.059604 -10.8416 -13.368565 -0.26407415 1.3772091 -7.6946626 1.8790076 9.460421 5.228192 -0.25273645 0.69261134 6.5886054 8.505458 3.2169578 16.927563 -1.6459087 -1.299872 0.48404837 3.4293928 4.3403664 6.6581326 2.87468 1.7394273 -8.243706 -1.2586535 5.9593987 6.253578 4.699357 -6.4346194 -0.26380554 -1.1066718 1.6361873 3.522692 -2.8104331 -0.5733939 4.4109545 -9.4128475 -1.5812287 0.12389663 -6.189066 -1.2578211 14.4868355 -5.173989 -5.066508 6.8425717 -5.275503 8.058787 -22.332842 0.4835708 -7.8050313 2.9582448 -6.1440473 7.3727956 2.8347075 5.1524415 -5.21444 -6.747728 2.1524997 -1.065934 15.376396 -1.0352004 -8.638799 -3.1869771 -0.15342195 -2.1576319 4.641135 -5.4314375 8.569331 3.807199 -1.0279408 -2.9511735 -2.9502547 10.489088 8.424395 0.84445083 -0.10465184 1.6587504 2.257226 -4.229443 7.7924633 -11.825094 -7.771326 -2.607886 2.9697175 -7.534366 -0.082677364 -5.74398 8.167478 -0.8768417 2.8561096 -6.295261 9.6387615 -6.5093274 -3.8735125 -1.8361752 0.74452925 -1.1166434 6.774716 17.827353 -4.8423867 -9.276642 8.748243 -2.6445024 -3.891442 -0.8159231 -5.081666 -1.7178065 12.720077 1.9786682 2.0712326 -2.9782643 9.162596 5.4092255 9.634694 0.23593442 10.573902 -3.9180937 5.37372 -9.389693 1.6645979 0.80888784 5.5665135 7.414058 (S,S)-3-oleoylglycero-1-phospho-1'-glycerol is a member of the class of glycerophosphoglycerols obtained by formal condensation of the carboxy group of oleic acid with one of the primary hydroxy groups of (S,S)-glycero-1-phospho-1'-glycerol It derives from an oleic acid. It is a conjugate acid of a (S,S)-3-oleoylglycero-1-phospho-1'-glycerol(1-). |
49806720 4.4400477 7.9915104 -4.4729776 -3.7354774 -0.6060747 -3.7766318 -14.853704 2.5149326 -2.7897985 2.2373347 9.711169 -10.665005 -2.1739585 17.778234 1.4834836 -2.342715 13.683578 4.356448 -11.220473 7.5002294 -5.1326475 -1.234061 -6.8554354 -9.044589 -2.3740957 -1.8907615 -1.3265587 16.266844 -5.2328835 -6.083909 1.802325 -0.424739 1.9837996 8.327827 6.160436 1.7950962 2.76199 6.75967 -2.37985 -6.6095457 -3.9090183 -0.49036625 6.909492 -6.7548747 -0.40275654 -3.1907456 9.536516 -7.4535336 1.9355923 1.1497321 8.240695 -3.174263 4.4392695 3.5073273 -7.8314123 1.9132193 -4.224005 -2.3126347 -6.9608464 -2.5802557 2.3701086 -1.5458052 -5.170814 9.551422 -1.4755844 0.5296229 -0.90152013 3.6031408 -1.2418423 3.71071 -1.4855816 -0.72247237 -1.9111938 -4.124226 -1.5170906 -3.0617623 -1.7046257 16.126717 14.675339 13.535382 -0.5301877 -6.591941 0.12949128 9.889344 0.29402143 -6.484011 2.4592912 -4.8184524 16.36669 -7.5580115 -2.3795736 -6.8810415 -5.2333293 -1.3906673 -2.34112 7.717446 -4.0911164 0.41961822 -8.580181 3.9278224 -1.3166767 -11.588301 -10.201935 -1.3140444 5.963104 5.1518707 1.1729708 -7.248621 -2.9524815 7.750764 -4.4799294 -1.9843338 -1.330588 -3.3162177 15.279165 -7.7606215 0.52845705 0.9104581 6.329847 12.029522 4.6709094 -3.0052428 -7.8624372 1.2184246 12.80569 -12.319272 13.25327 6.4005427 1.1529591 7.5811825 5.5351744 -3.2194998 -16.861973 6.2232223 15.093015 5.6726184 2.315551 -2.425813 4.418262 12.238288 -5.4785295 -1.0292641 3.6551154 4.9165177 7.8747473 -4.133603 -10.00617 8.386816 -9.41065 1.7868314 5.9073586 -3.5658574 -12.901976 1.1140369 -1.2199423 -1.8116826 3.6957762 3.31011 3.361406 -7.2874293 -3.144798 -0.97633857 -10.989319 -4.935044 0.75935966 -8.26247 14.523617 6.3538723 -3.3941095 -5.821352 -4.792641 -0.053370275 8.809861 -6.263422 2.1978917 -3.0771224 1.1388566 2.7595048 -6.5244865 4.3064785 6.8921895 1.9745123 -4.603247 -3.1064475 7.4299335 -3.230579 -8.211817 6.994215 -0.12045787 2.964671 13.942197 -1.4687687 0.364044 -2.7947397 -6.0668917 -1.6404588 3.3786306 -3.3356998 1.5075674 1.4040133 9.179628 -7.123132 2.9343443 2.600446 2.7334316 7.468211 2.83324 -4.7672844 4.7959123 5.6470766 -0.16492034 9.519154 0.5955577 0.9691484 10.287374 0.34997427 1.6415303 -1.1462517 -6.366137 0.46591446 9.087278 -13.330655 -8.099254 -9.194541 -6.501097 -3.0596192 4.661045 -8.658817 3.8951554 -2.2169423 -0.66034544 6.716855 6.2816176 -2.9639883 -0.17275563 2.851814 -1.1903973 3.073175 1.7831899 -3.290354 2.6665766 -13.999257 -10.517544 1.4643924 -5.7838626 -4.451046 6.9908986 4.2284527 -8.273083 0.88051414 8.68852 7.717214 11.715671 -1.657607 -6.2413025 2.7675905 7.6623263 -8.40604 2.062917 -13.071932 -3.3797581 -3.6494305 -11.540166 5.1388745 -10.89247 -2.2587547 -1.704218 -0.5439246 4.924547 4.461296 3.0657105 -3.945483 -0.728915 15.136959 17.336147 -7.462276 1.1664896 6.0761337 -6.6678147 -6.8237176 -17.074915 -9.927217 -10.199865 8.254135 4.85491 -6.9034348 -1.6127386 -2.5561213 8.298081 -0.63937813 2.1570866 0.67480177 17.474186 -4.731596 2.591258 -11.792083 1.3323202 0.35388848 0.89592654 9.423576 Alectinib is an organic heterotetracyclic compound that is 6,6-dimethyl-5,6-dihydro-11H-benzo[b]carbazol-11-one carrying additional cyano, 4-(morpholin-4-yl)piperidin-1-yl and ethyl substituents at positions 3, 8 and 9 respectively. Used (as the hydrochloride salt) for the treatment of patients with anaplastic lymphoma kinase-positive, metastatic non-small cell lung cancer. It has a role as an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and an antineoplastic agent. It is an organic heterotetracyclic compound, a member of morpholines, a member of piperidines, a nitrile and an aromatic ketone. It is a conjugate base of an alectinib(1+). |
126843493 -0.53255355 2.8143287 -2.4341524 -2.3369565 0.4708714 -3.0468102 -3.7195935 2.4101317 -4.440264 3.4698617 5.0114183 -5.302764 2.1823668 0.0197922 1.6458106 -3.4658496 1.4091417 -1.2900946 -6.911197 3.07725 -2.5530345 -1.3014416 -0.7906402 -3.747997 -0.97715336 -0.25877893 1.0564961 3.0423195 -2.760776 -4.5107512 -1.256021 -0.4199547 1.9073542 3.4797907 1.5109189 2.6583064 -0.45342666 1.8258141 3.1137135 2.153015 -2.1024225 0.85641336 -2.2211213 -0.26305357 -2.1098206 -0.49752963 2.7879071 -2.3778007 -2.1682317 1.8573322 3.4589262 0.6142576 1.2201228 2.5635996 0.8919791 0.03659974 -2.0423894 -1.3878021 -2.340731 -1.3233458 1.1016301 -0.6156733 1.3432198 -0.14087734 -1.9115208 3.0874743 1.7781134 1.800277 -1.5404036 0.42872477 2.460595 1.0886273 -3.8357816 0.7833428 -2.4667385 -1.1614479 -4.182318 1.7606803 3.3658328 4.714998 -2.1409893 -4.1405787 -2.2379203 3.5415099 1.0263833 -2.358262 -1.3869536 -0.11764935 3.7103174 -0.67359084 -1.5299329 -1.3536085 -1.0018337 1.8905843 -0.30768204 -0.69854033 1.0853468 -2.8745143 -2.2930415 0.6381596 1.3110759 -0.85009253 -3.2709591 -1.5635113 2.6991177 -0.44171336 1.0254378 -1.7027746 1.2287253 1.7030783 -3.740963 0.268642 -2.9791703 -0.6403765 2.864361 -2.0703046 0.87347484 0.9056269 0.65998745 4.0819564 1.1964929 -1.6429689 -1.4603255 -1.4450805 2.853262 -3.4121413 4.1951656 4.369141 -0.90416175 1.9304436 2.8317628 -0.7264329 -3.2217355 3.3214715 2.058388 -1.1506274 -1.7288282 -3.9826148 3.4609885 2.5661716 0.31514567 -1.7001009 1.5702019 2.869945 6.075333 -3.56203 -1.9345673 4.119129 -4.4727182 -1.183673 3.4146042 -1.6675462 -2.953698 0.5821037 -0.6346363 -0.49059173 2.2706664 1.2185411 1.5560195 -3.009807 -3.011806 -0.6119269 -1.5760989 -0.76476806 5.6994753 -2.3477182 6.583402 3.351605 -2.0008745 -2.669921 -1.573975 1.2137387 3.3512392 -0.6460405 1.7207056 -0.62072974 4.220189 1.0919452 -2.8418653 -2.089469 2.9066083 -1.6352997 -3.0450635 -0.7923146 1.7427975 1.1686596 -3.8683972 -0.5779113 0.67412436 0.5997746 5.898738 0.80361426 0.6636757 -0.59335506 -3.6216888 1.1014605 2.852361 -0.76430863 1.5109928 -1.392261 -1.1791488 -4.66089 0.73364586 2.7798162 -0.1918917 -0.8727077 1.0591981 -0.39609915 3.915774 1.7737728 -1.3647014 4.3810534 2.060564 0.13702026 3.5078106 1.4417051 -1.4246895 1.9513086 -0.26628062 -0.49343598 0.9571575 -2.829326 -2.7655656 -0.92730576 -3.7727509 2.1732538 3.3094497 -3.0651536 -0.7486615 -0.23716669 -0.44202664 3.7808971 -0.9506552 -0.63862795 -0.713001 1.2517407 -1.1532295 -0.348913 -0.050400987 -1.365376 2.287311 -2.9223485 -1.6132579 -0.34276405 -0.33002436 -1.4361683 2.9586124 -0.8710513 -1.8323623 3.3401833 1.9799385 2.6039238 2.769463 1.9943441 -2.3258862 1.2289839 2.9937284 -3.6046207 0.15255444 -3.9032335 0.8649246 -3.50038 -2.4474938 0.54894394 -2.4940827 0.035530988 0.21761492 4.1484885 2.4616146 1.7363453 -1.2174019 -0.36943358 2.264567 3.5984802 3.2753463 -2.913949 2.354193 3.5807564 1.4371269 0.31199372 -4.5875263 -3.0144548 -1.6389577 2.447501 3.2956781 -1.4386897 1.7152065 0.4741693 1.6682326 -0.20141265 2.882621 -1.227864 2.0490038 -1.0471809 2.4088461 -1.4354204 0.82104063 1.9493326 2.0095465 1.3757802 2-((5-(hydroxyamino)furan-2-yl)methylene)hydrazinecarboxamide is a member of the class of furans obtained by reduction of the 5-nitro group of nitrofurazone to the corresponding hydroxylamine. It is a member of hydroxylamines, a semicarbazone and a member of furans. |
11167 0.098128185 0.427169 -1.4243151 0.57108873 -0.507467 1.0164785 -0.9105483 -0.0067562833 -1.2908592 2.0100951 1.6351902 -1.6570305 1.6805634 -0.052103873 0.4901345 -0.9023971 0.98950064 -0.19584164 -2.9992108 1.5853504 0.0683479 0.94775784 -1.1850442 -0.71171206 -0.7879191 -0.04097 -0.4518789 0.5913978 -1.1861644 -2.564432 -0.7191281 0.67215616 -0.64947563 1.7652024 0.87277865 -0.55732703 -0.5043071 1.3082385 1.1635363 -0.82997876 -0.48179883 0.17672314 -1.1425372 0.467484 -1.1433454 -0.47359103 1.0455189 -1.246501 -1.7579882 -0.14252278 1.7331063 -0.37831336 0.25693476 0.6848485 0.66594696 -0.15686375 -0.8829353 -0.40478152 -0.54401356 -0.23966828 0.5728514 -0.6625785 0.5014635 1.7343962 -0.20087375 0.6449079 -0.13516316 -0.14996661 -0.43229485 0.45086253 0.3029969 0.25397336 -2.0021384 0.45458123 -0.834589 0.10819261 -1.1679051 -0.95246506 1.1135334 1.7805402 0.24629322 -0.44659033 -0.896802 3.103075 -1.2456841 -0.63171244 0.8797941 -0.067070514 1.1312326 -0.23510952 -0.03897064 -0.10695565 -0.93796873 0.31990087 -0.08739784 -0.039742976 1.1067736 -1.6733427 0.72186255 0.46288425 0.21415687 0.86218655 -0.2832628 0.6038296 0.09794959 0.46788853 1.5933609 -0.9196919 -0.8250904 2.1482258 -1.6967498 0.81663275 -1.1954331 -0.72903323 -0.5224917 0.5411153 -0.06017429 0.07370299 -0.6034378 0.8379569 0.5060755 -1.2437913 0.20470524 -0.5777253 1.1235287 -0.69605005 1.6613845 0.8812919 1.007171 2.1357965 1.3152015 -1.9344286 -0.36527985 0.7575068 -0.59218705 -2.0183785 0.18189567 -0.8200546 0.49327132 0.46534976 -0.64651346 0.4784028 1.6664732 -0.21604946 1.3523486 0.25245786 -1.5454549 1.2079194 -1.4246583 0.041658923 0.20749076 -0.7556282 -0.05575084 -0.20489389 0.42368552 -0.17879859 -0.7384516 0.9988467 0.48675543 0.15345162 -0.36771065 -0.5227449 -1.1681383 1.2344104 1.2020464 -0.86458355 1.5029193 1.2803776 -0.5028511 -0.6591985 -0.10600585 0.313728 0.401518 -0.18949637 0.6928535 -0.11607018 1.8685789 -0.07196286 -1.1736383 -0.6836161 0.41313326 0.6092306 0.8503909 -0.3273211 0.5290754 0.871276 -1.6240547 0.15520702 0.41330206 0.0017980151 2.4714556 0.69438577 -0.52247214 -0.3972745 -0.6627385 0.1588534 0.44487864 0.40829805 1.5940468 -0.4397477 0.35441273 -1.2857 1.166033 0.3013331 0.66541636 -0.57704955 -0.2836483 -0.538831 1.0145143 0.23733717 -1.2575647 2.2531939 1.6907072 0.25253612 1.5714025 1.3338438 -0.59950334 2.2163541 0.30169842 0.10176759 0.17722481 -1.6488258 0.286093 -0.57094264 -1.703722 1.1634053 0.87761784 -1.6538448 0.12707078 0.15168954 0.35761726 1.5144557 -0.5866917 -0.21506391 -0.47337198 1.0157512 -0.9291893 -0.15095206 -0.018620262 -0.4609016 1.7505755 -2.0990708 0.60877216 -0.44247645 -1.4294615 -0.41155782 1.6944225 -1.0269513 -0.6288546 1.3934827 -0.4118416 0.3422212 2.1860912 0.81257385 0.09989008 0.8454191 0.5653677 -1.530387 -0.2260736 -0.6430213 0.3657961 -0.19913092 -1.6162556 -0.9922362 -0.50014406 -0.33623582 0.5311799 0.99513054 0.9143228 0.029651895 -0.6362123 -0.5019871 0.88331974 2.1082685 1.1460919 -2.0967762 1.0536011 1.9080999 0.9827975 -0.7274256 -0.7620921 -2.2808099 -2.0951111 -0.10728608 1.8260854 0.058845237 0.55516934 -0.08970997 -0.11863881 0.74195254 0.4219995 -0.23146799 1.0226526 -0.6683664 0.90089417 -0.45787507 -0.026585694 1.5802388 1.1875278 -0.36426294 Methyl isothiocyanate is an isothiocyanate having a methyl group attached to the nitrogen. It is also the active nematicide of the pronematicide metam-sodium. It has a role as a fumigant, a nematicide and a lachrymator. |
15993 5.4485097 15.4767 0.18091789 -0.03977569 5.395126 -17.09397 -2.300291 11.176181 9.453594 7.077507 7.80474 -9.698086 -3.5975275 11.929489 4.926018 -1.1706865 4.6943707 -0.1296116 -21.714834 10.285902 -10.472173 -9.006819 -15.488081 -3.3051472 -10.906442 1.0194812 -3.5684707 9.754452 -0.95932096 -7.467538 1.1704825 4.149985 3.6717887 5.2175245 13.9828825 0.74752367 3.2169871 8.8517885 1.0997813 -6.8631945 -8.529232 4.763782 -3.2600389 -4.9378333 -10.072415 0.69449 5.1388745 -0.5028485 1.3770651 2.8803222 11.392828 -5.102721 6.5391693 6.465422 9.995187 -4.1023755 -2.5176878 -2.6487892 -8.750042 -8.450654 2.2780488 -4.609066 6.3994985 9.569504 -4.6178703 -0.8362739 0.7491342 1.0498462 4.605925 2.510931 0.6536548 3.4412632 -13.724853 4.9248266 0.9472942 2.015356 -12.234809 9.506825 3.6218674 3.521692 -1.7582191 -5.6256423 1.4130529 4.056016 -3.462152 -0.19457653 11.690928 1.4890453 8.989088 -8.662418 -2.7766447 -3.7587667 4.352385 -2.2151124 -5.8384185 0.35150534 9.486754 -3.335903 4.2889023 -2.2480438 6.2194643 3.5862231 -10.610479 -1.1397707 2.9285607 -1.8289249 3.6725528 -1.6590238 4.382353 12.150131 -9.870616 -1.8494613 -2.3533201 -2.3126009 13.50838 -2.7212696 -1.1097583 -0.10458636 11.634433 5.2596674 10.964572 -0.4909501 -21.64767 1.5221474 8.500684 -11.445209 18.755348 8.155869 -2.8872 10.986185 3.9212487 4.260519 -13.463155 12.128526 20.232372 1.210132 9.977285 -0.70509195 13.567522 12.248976 2.147889 -2.0578754 1.4802508 8.560959 15.496069 -8.9782915 -4.3402243 18.38865 -15.57597 3.1905532 12.614332 1.6620514 -18.996538 -0.73597795 -3.6682932 5.1138372 14.697996 13.568839 12.114316 -6.485063 -5.185473 -0.9363757 -18.36648 -2.448505 1.7375189 -9.459626 22.195267 4.6810036 -6.691462 -3.95778 5.6080475 3.1073713 11.470829 -6.5854416 0.19294363 -3.3382006 11.467819 1.6836396 7.155853 4.6029787 -3.8459635 -0.32205153 -1.5700707 -4.0332 10.2135515 -0.96445763 1.9182122 -4.8690085 -0.48648906 -5.6271563 11.29308 4.6455393 2.245384 -3.256477 -4.4208264 5.5260425 -0.04464075 -6.101595 -4.7158456 -1.0982912 -2.486324 -5.5873218 9.505753 9.635363 6.3947716 4.507246 0.015437162 -5.3672185 8.202258 9.988695 3.9491143 3.7201858 -2.0043817 7.4677258 -1.9216164 8.13134 2.384844 7.1151834 5.9978976 -2.7245796 -4.2283463 -14.368027 -4.0157638 4.338579 -6.030189 -9.507019 -3.7929084 -2.7455618 3.188185 -5.031269 -0.38715923 7.542809 -0.36894116 0.6867004 -3.3032448 0.41195565 10.046135 -3.3550754 -2.760203 -5.42806 1.4830846 -4.395438 -3.468401 -1.2590483 7.8096848 -1.719041 -1.0675068 -5.1896224 0.6176379 -4.2680807 5.6261907 4.673403 4.703926 -0.08020832 1.2448326 8.10058 -2.281794 -15.102825 -4.7223406 -1.2399241 -5.1017866 -3.0594125 -1.6345417 1.8383844 2.3916776 -4.644342 2.384918 0.36888424 -0.027270481 -0.7332864 0.90796137 6.3658247 7.056659 -7.607271 15.794106 3.8329446 1.4565692 -10.764333 -1.751112 3.2309346 5.8200655 -7.6643476 -4.119324 -0.19071019 3.1861486 -12.679688 0.2855603 -6.5079007 2.5662208 -5.5928206 3.4153647 -5.3564563 7.9292626 -5.437767 0.8573528 -7.5215983 -4.73499 4.5072427 1.763601 4.593572 DATP is a purine 2'-deoxyribonucleoside 5'-triphosphate having adenine as the nucleobase. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a purine 2'-deoxyribonucleoside 5'-triphosphate and a 2'-deoxyadenosine 5'-phosphate. It is a conjugate acid of a dATP(3-). |
22328017 -0.3167916 2.778172 -0.9711131 -2.959884 -0.54899806 -4.516627 0.06924963 2.7311738 -1.7130325 1.2705789 0.44955412 -4.7567925 -0.7450328 -1.0625744 -0.66726196 -2.0551193 0.6362246 0.3159083 -5.090101 2.3244314 -2.941979 -3.6934888 -0.43034112 -5.4912806 -1.2845459 1.647237 1.5228449 3.4534101 -2.5477629 -3.8399382 -0.83916473 -2.1259344 0.1690607 4.4058604 2.1390862 3.7882771 -1.2066523 5.421286 -0.56819683 4.4440413 -2.6578252 -0.13195226 -0.24138711 -0.5837238 -5.5749497 0.62796307 -0.69501626 1.7078317 -0.8145869 3.9427056 2.5459006 2.056651 2.0222728 3.2076955 1.9520422 -1.0549089 1.204468 0.37297183 0.46387935 -2.1204047 0.6692478 -5.1764274 2.778745 4.73682 -0.70636964 0.5069912 1.8399103 -0.056662217 1.4377073 0.014082104 1.7790614 2.2227497 -2.8702874 1.8254391 -1.6135675 -1.0377715 -1.7417697 1.8530173 1.1009445 2.0047238 -3.3015733 -2.8403199 -0.23200865 2.8349826 1.8725176 -2.5846858 0.18624672 2.6852088 4.152596 -1.0971329 -0.3904242 1.79519 1.0910262 1.4382596 0.37659973 0.6993139 -0.098034084 -1.3238513 -0.31606975 0.5790001 1.9626852 0.47341365 -3.4276962 -3.0807414 -2.1954377 0.95351577 -2.5591002 1.2863185 0.057571463 3.177179 -2.1374063 0.2966249 -3.9857922 -0.80358195 0.0639801 -1.2328573 0.45527336 3.021547 1.1257668 3.7025566 2.575513 1.5128541 -3.332452 -1.208727 0.33863544 -3.2481387 3.6921096 5.0119925 -2.1171877 1.0836622 4.2618217 -0.8224784 -2.9732418 1.5474665 3.4089997 -1.4301405 -0.025999054 1.1202183 8.608739 -0.14999072 -2.8433797 -0.35677797 -0.29522616 3.6245875 5.500066 -7.08629 -2.1665826 3.454829 -2.7438593 1.6132778 1.237093 -1.0847782 -5.0574336 1.4208795 -0.6477481 1.4408461 4.927264 4.5449967 6.0241017 -0.6420125 -6.127171 0.9320839 -1.4362445 -3.0378408 1.5789112 -2.160245 5.9668937 2.6167312 -2.627968 2.2271194 0.94565403 3.331033 1.8391504 0.59504926 -0.9928255 0.10651889 6.771176 3.8225715 -4.1243553 -5.2340307 1.8623179 -1.6358782 -4.258547 1.5631603 3.7633467 2.3396907 -2.9556544 0.6837117 2.479703 3.7240813 3.9601736 5.273695 -0.07854168 -0.8158151 -1.120951 1.2787833 2.835198 2.6381888 1.8519398 -0.84957904 -3.8950987 -0.042894952 1.3352635 3.2276387 -0.0012264512 -2.620048 1.2777241 0.26568675 2.0332627 2.009354 0.78277785 1.1104685 0.9593906 -3.0164666 2.2301667 -1.1055826 -4.1856713 -2.0731938 4.3299747 -1.5234649 -1.3746638 3.4789493 -2.4549794 3.890345 -7.3484516 0.45530105 -2.0473697 3.6918926 -3.129045 2.6440096 0.7553283 1.275292 -2.8206456 -2.3732772 1.1664567 0.22853565 4.456613 0.24361543 -3.1378467 -0.9858811 0.099059016 -0.22343725 -0.093451336 -0.4869317 2.9903505 -1.4459465 -0.28809273 -0.74179643 -3.0256515 0.8169923 4.766176 0.7752871 -1.9238958 1.6966757 -0.74711376 -1.1561587 4.6180844 -2.5631976 -1.7700365 -1.1795379 1.0483438 -4.2608385 0.24716969 -1.1923393 0.6335443 1.1750449 1.7615182 -2.465618 2.9449828 -2.6803513 -1.5574687 0.0956752 1.811002 2.366067 2.5494013 3.4862156 -2.3798232 -2.1988308 -0.24443802 -1.7172503 -3.7208161 0.906498 1.5662293 -0.9595198 3.3870602 -0.4326508 0.25697264 0.0074225683 3.2753935 0.16446574 4.7595143 -0.9806117 3.7506366 -2.2130497 -0.5313477 -5.541826 1.152429 -0.3787239 3.959085 3.2776358 3-hydroxysuberic acid is a dicarboxylic acid that is suberic acid substituted at position 3 by a hydroxy group. It has a role as a metabolite. It is a dicarboxylic acid and a 3-hydroxy carboxylic acid. It derives from a suberic acid. |
11237762 -4.441768 5.3277454 -4.1585307 -6.1720953 2.9975638 -12.397182 -10.087953 3.4384117 -2.1614711 1.5785093 10.970328 -11.740399 -1.0178821 8.616007 6.3376975 -2.8989038 4.6106343 -1.9880202 -17.910942 10.386092 -9.789555 -6.350272 -0.77344346 -9.3463335 -0.5907028 -1.1021109 -0.5430862 11.540068 -4.691762 -6.6103773 0.5828929 -1.5336314 5.9163938 10.413997 1.3258597 7.3887367 0.28701988 6.8034887 1.8845844 -0.113254204 -6.011624 4.599999 1.799184 -5.3016014 -1.9935844 -5.86103 10.730855 -7.363172 -1.851453 8.996348 9.38307 0.7051874 8.245679 6.04233 0.82071656 3.1818511 -5.2511764 -1.0024446 -8.409199 -3.9899957 1.106634 -0.5052513 -0.3772881 3.9623187 -6.610381 2.5654519 3.0630994 2.6317956 -0.66394573 5.473657 2.9675646 2.4190533 -5.669136 0.17281747 -6.3456936 -2.7024326 -9.18302 11.055678 12.098143 14.486137 -0.62651086 -7.2401295 -2.5706322 4.142503 1.3617293 -3.883878 -3.5411062 -1.1954457 13.3909025 -2.722182 -5.139275 -7.5200443 -3.6208477 5.47407 1.9053165 2.8549185 4.1003914 -2.2167575 -7.211073 1.9723203 -1.1738627 -5.8547134 -11.844003 -1.5810188 5.2247295 0.60120344 -1.6188594 -9.3099165 -0.1099713 6.35251 -8.956462 -4.01654 -3.7103376 -2.0024323 9.659762 -6.128654 6.038339 5.7484508 1.6234843 10.493662 6.043941 -4.5816975 -7.8437676 -3.5246954 11.781616 -9.095738 14.402158 5.896788 -3.1786225 3.7794387 8.009146 0.72323036 -13.033921 8.988233 12.198279 4.2162094 -0.2846905 -6.450902 6.536476 10.111885 -3.6765113 -3.7364683 -2.087002 2.939379 13.027221 -10.646684 -5.87773 6.9057007 -9.762906 1.2252496 10.968004 -4.0374813 -11.394235 1.7453526 0.40499753 -0.4619276 9.789367 -0.76910025 3.1917593 -9.815724 -6.064013 -3.2406058 -10.517733 -1.7050334 7.341169 -9.65236 16.073542 7.089072 -7.3336816 -6.737063 -0.29795998 -0.45111728 11.8072 -2.5109358 4.5950713 -4.5136356 5.8146214 3.8184075 -7.0979767 -0.38227296 6.807514 2.3712654 -5.7421656 -1.2562869 7.344056 0.6905528 -7.3928204 3.853805 -0.5201317 1.6423403 13.195134 -1.3634541 2.6469007 -1.4392498 -6.8424597 -3.9124317 4.9311266 -2.221451 -0.8485682 -2.569496 1.4615682 -12.835075 5.6833286 6.9130874 -0.52492476 4.4208393 -0.9078273 1.057925 8.147861 7.664231 -5.638894 9.079872 1.9126612 3.9860075 9.069429 5.056264 -3.994146 2.5142605 -4.5808163 -1.3323369 5.0755987 -11.45303 -13.210729 -2.5232205 -6.902202 -1.9543116 7.9720354 -5.336714 1.9132087 -1.816505 -0.11665832 13.585546 0.36871913 -4.152462 -3.1043382 4.6998568 1.1942074 1.125624 -0.62970406 0.16581447 1.6095837 -6.862373 -4.07524 1.2697198 -2.7897398 -2.9383628 8.992024 0.13805616 -7.243657 0.049919453 2.909158 6.7591 8.888174 0.12974703 -10.190582 1.9432296 5.591055 -7.386232 3.8417606 -8.412894 -1.2892616 -5.374234 -5.168666 6.0399766 -8.22997 -1.8805349 -3.007355 5.4512377 3.2312384 6.384066 3.133104 -5.9426603 3.5579944 13.116272 17.381258 -8.810008 3.0890815 4.317888 1.7659224 -2.1042094 -12.982492 -11.011194 -6.0918684 9.295175 8.032176 -6.37645 6.8344893 -2.8492103 7.600181 -4.1106834 7.591092 -1.7020555 10.932522 -6.314233 2.8962061 -8.275222 0.14893754 2.772497 3.0261855 8.000833 Lenvatinib mesylate is a methanesulfonate salt obtained by reaction of lenvatinib with one molar equivalent of methanesulfonic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine. It has a role as an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, a fibroblast growth factor receptor antagonist, an orphan drug, a vascular endothelial growth factor receptor antagonist and an antineoplastic agent. It contains a lenvatinib(1+). |
91828226 -5.318922 11.434654 6.8144145 -1.087841 1.3359494 -33.619 4.077424 -0.8385627 20.20663 7.689109 -0.5264596 -8.507625 -15.266423 9.201802 8.2097435 -4.567295 8.709512 -15.200835 -39.42437 18.724115 -9.483904 -26.291174 -19.166965 -8.9892435 -14.728058 3.7267787 5.3078413 10.195632 2.6040664 -11.03819 3.9936965 -3.3700695 5.5800023 15.095645 27.701412 1.2092614 -8.554636 17.22251 4.9586086 0.74742943 -18.162825 7.4925036 -2.7496338 2.1783905 -5.738445 0.12556407 -1.247299 11.959136 -2.1824865 35.41306 12.535812 -5.0965614 17.110998 3.1963217 26.240608 -0.00066782534 -6.1803055 16.778826 -5.824026 -4.114095 8.2076845 -12.302117 2.6196723 8.967251 -11.075113 0.6147362 8.166271 6.5325294 -1.3999411 -12.604543 2.0020924 8.019278 -18.20522 7.0501127 -0.13390133 -10.830668 -28.93264 18.355164 -1.4363515 3.8540008 -16.572021 -12.900704 -9.620126 5.126109 9.621259 -4.3594937 15.416711 4.732829 13.936452 -5.5784016 -2.4459708 -0.103210606 -0.1427854 7.3233976 -3.3196592 -7.621422 15.560887 4.709451 -0.33120137 -6.20886 16.318382 -1.0803617 -23.573748 -1.3008759 14.876103 6.3053546 -2.6200495 2.3652306 3.29531 9.2168255 -12.852757 9.942508 5.732273 -3.3768198 24.409346 -16.233406 -7.0268784 9.457808 17.241343 13.776678 15.476108 5.330247 -19.13598 -6.5119715 11.587315 -32.469967 27.70537 14.172035 -20.573524 14.534336 0.31434345 8.463811 -21.689222 28.161129 35.67827 7.0613585 8.419561 -5.6601725 27.837273 23.10133 -13.1017685 -0.3319027 6.1122737 8.069998 37.59989 -14.099937 -13.079238 27.802519 -21.383924 3.3990335 14.677511 6.7679296 -16.870369 7.3594165 0.54724514 9.32006 30.87975 17.027853 33.902287 -7.6389666 -31.71566 1.4286921 -15.439134 -1.7517368 10.257872 -4.8800654 46.68456 13.51995 -18.953758 0.30717653 13.582717 18.883976 14.5745 -3.7381253 -5.268125 0.7340225 23.685968 22.50081 -5.7290354 -3.6050346 -17.435993 3.663135 -16.914244 0.8654744 2.290909 -5.7471957 4.64377 -13.6332035 5.6516385 -1.5975487 12.228323 8.88521 4.6231356 10.735101 1.4809098 12.617844 3.2959917 2.2611709 3.8716714 3.879447 0.3267588 -3.2822945 9.022278 22.471897 8.309275 -2.0081341 -3.0781896 0.8324704 -0.7444985 13.19119 3.7288585 -4.351006 -12.312079 -6.2739096 -8.469643 14.741734 -4.7206545 0.05124034 8.890122 -9.94702 -3.386529 -0.28862903 -2.442148 16.38883 -7.1824064 -15.65948 -16.341267 5.7353983 6.870125 8.689177 -0.15851101 3.9744027 3.6470246 2.2703257 -3.838387 2.7122295 17.849007 -1.3916115 -23.383947 -10.569019 -5.055607 -2.0547843 -1.007627 -4.7023864 14.158348 3.7693748 2.79107 -12.053763 -4.803403 -3.1373944 6.089081 6.0416136 -10.316981 9.668876 10.45986 14.211116 0.46264923 -24.578869 -10.919887 5.846792 -11.355866 -11.185263 4.056766 -2.2734003 3.361415 -6.873696 12.089525 9.804643 17.173126 -4.0787754 1.5455374 1.3786036 2.843309 2.1562836 25.36109 23.937218 -2.9855986 -11.4369545 12.843568 11.456388 0.15928489 -4.286761 4.3620996 0.42782044 16.76829 -15.358367 -9.389314 -6.322708 20.339428 5.844633 9.804673 -10.846698 29.775007 -2.8488145 7.5679593 -25.99586 -4.493771 -5.946265 14.439782 7.187673 Beta-D-Galp-(1->3)-alpha-D-GlcpNAc-(1->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc is an amino tetrasaccharide consisting of beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose and N-acetyl-beta-D-glucosamine residues in a linear (1->3), (1->6), (1->4) sequence. It is a glucosamine oligosaccharide and an amino oligosaccharide. |
122706051 0.760787 3.3494873 -0.88069534 -4.0925426 -0.3752753 -6.8228707 -2.6585817 3.7640185 -0.9264737 2.3221068 5.3570623 -7.105883 0.21315977 2.0138314 0.26013342 -2.0186553 0.5830017 0.21440092 -7.654588 1.8078476 -4.6822243 -5.710005 -1.8702064 -5.10652 1.3149916 0.8221313 1.3875902 5.0586743 -1.5237633 -4.7835407 -0.5656147 -4.304344 1.5033481 3.934249 2.1057763 3.8600938 -0.17451894 3.1673026 1.018352 3.7207823 -2.2386281 -0.9699845 0.34383336 -3.1104693 -3.1487026 1.411134 3.5692582 -0.56102717 -1.230832 4.5336003 5.7169957 0.056287676 2.3787935 3.279143 -0.052141532 -0.92853343 -0.47689122 -3.8917036 -2.6950252 -0.90526116 -0.3161818 -1.2766932 0.85919505 0.18929324 -3.7753015 2.0223918 1.8501002 2.4034371 -0.25818968 2.6070507 2.1870313 1.5579574 -3.3515167 -1.1310446 -3.1362932 -1.1454006 -4.542888 1.9038776 4.47001 6.4481726 -1.6462073 -4.6583376 -0.9194758 1.9066651 0.6543554 -2.7658453 0.32651314 1.8896528 2.376394 0.44623867 -1.5682408 -0.94414777 -1.0968213 1.5082089 -2.1090934 2.6595988 1.732588 -0.49170566 -4.5203133 -0.94248164 0.39314353 -2.96658 -5.194521 -2.3996267 1.4212881 -1.3167621 -0.082727835 -3.1534324 1.0494027 0.13894665 -3.1703594 -2.3539875 -3.2658446 0.30357575 6.056157 -1.453342 3.5686038 0.31589293 2.4538581 4.060685 3.5145636 -1.5637267 -5.061892 -2.4312046 2.4669836 -3.8750558 6.0497966 5.303439 -0.9497818 0.86374813 5.2341385 0.93626124 -5.8483095 2.345187 4.2279286 1.3191402 -0.27432632 -1.8798229 5.9566555 3.111375 -1.0445498 -2.4266 -0.82179296 4.5004435 7.4400153 -4.8686037 -0.06624372 3.7043483 -3.500582 1.0515143 3.6974297 -0.13042313 -9.546872 -0.8036069 -0.50666153 0.96168953 5.731037 1.7710713 0.63625973 -3.0993505 -3.309086 0.6180377 -1.9854134 -3.9949138 3.461328 -6.305068 7.2727175 3.7468328 -3.7181745 -0.24465978 -0.86379 1.5976655 4.6528945 -1.3965265 1.8886235 -1.1688333 5.165197 2.2690206 -1.7288483 -3.6178071 5.8369207 -1.0280678 -4.1690993 -1.9581542 2.8267453 -0.9685128 -5.1113524 1.9061382 1.6373688 3.0346005 5.6485915 3.8345459 -0.13186502 -1.2646278 -6.905751 0.3633418 0.2908133 -0.32982466 0.33729973 -1.3370235 -3.6114872 -4.4284415 1.4425052 2.7900586 0.096797474 -0.077860504 2.1937392 -1.1752608 5.230798 3.3008747 -1.951061 3.4543912 0.16380036 1.8506786 2.306595 0.07994333 -2.598573 1.607939 0.82209843 -1.9622122 1.2114735 -1.3156879 -4.5862193 0.9352335 -7.305621 -0.49905074 2.1503177 -2.0808144 -1.8435866 -0.45806232 1.9776375 7.2001467 -2.7986267 -1.4203994 0.57663685 0.46987066 1.6210504 -1.005824 1.2930915 -0.05030085 2.466156 -1.9631017 -2.231125 -0.1606825 0.63246477 -3.6031039 0.2502402 2.3273485 -3.1935513 3.0189948 3.0131204 4.0278363 1.1122618 1.6174603 -2.8186343 0.37441194 2.6182523 -5.975138 3.234715 -3.149468 1.2415423 -3.5927005 -0.5465321 1.117986 -1.5842099 1.5639796 1.5490285 1.7063116 3.0874953 1.7954457 1.0346725 0.80946803 2.3406084 5.744541 6.3061476 -3.2848475 3.2279148 1.3982198 -1.6746019 -1.4397383 -4.252854 -3.3371549 -3.6141434 1.7766907 3.7844844 -2.8772843 2.1130807 0.70925725 3.028599 -1.5621879 5.471482 0.7631457 3.8359728 -4.0375504 -0.34731612 -5.424181 0.6492592 0.46916696 1.9075128 2.0830815 3-hydroxy-4-methyl-L-kynurenine zwitterion is zwitterionic form of 3-hydroxy-4-methyl-L-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3 It derives from a 3-hydroxy-L-kynurenine zwitterion and a L-kynurenine zwitterion. It is an enantiomer of a 3-hydroxy-4-methyl-D-kynurenine zwitterion. |
21120958 0.08178049 10.701597 2.6291935 -6.110243 1.9465756 -16.807352 -4.278942 6.248144 4.3328958 5.544395 7.851582 -9.923487 -2.8978717 2.0124018 3.5573773 -3.3154168 1.6365806 -3.0553575 -17.349886 8.777218 -9.790107 -16.097393 -6.98724 -11.830766 -6.4288483 3.8975902 3.0205781 6.8317337 -3.9317803 -8.91271 -1.7599674 -5.850643 4.1293473 8.969344 8.082338 8.712945 -4.0103645 13.343266 2.061592 6.707841 -9.555622 -2.6268005 -0.71381664 -0.9865838 -4.6003857 2.6915762 5.032221 1.6910167 -5.6715703 12.19808 11.757755 -1.454118 8.754174 7.380303 9.666484 -3.8677626 -0.16497171 3.7733648 -5.0925293 -2.0751812 4.592122 -5.656646 2.3773415 3.1645222 -1.2391751 2.9158335 6.548971 5.6582804 -0.5976115 -2.4366608 3.3743305 -0.1879451 -6.2948313 3.8191664 -3.6629567 -7.3232565 -9.131953 8.033099 9.287463 2.536342 -7.1406183 -12.088972 -5.5247464 3.812525 5.7580895 -4.7171545 1.8658428 4.337189 9.873164 -0.60383797 -0.9174041 1.2078047 0.64317 4.9838104 -1.7655576 -0.35441104 9.482492 -2.9290476 -3.4612207 1.6975287 3.7055566 1.4748402 -11.02881 -1.8221099 0.2687176 0.64004856 -0.457152 -3.1284654 5.9955645 5.3147745 -11.93996 2.471965 -1.3160836 0.10398573 7.9199514 -6.616735 -6.2177887 3.1848295 5.941531 11.688533 11.173524 -0.3519625 -11.699245 -9.104421 10.341402 -12.665123 14.279137 10.589307 -7.1499844 6.8570256 2.6370757 -2.803562 -11.728673 11.540832 12.546161 3.4936132 3.209781 -8.623056 17.559805 9.006414 -1.532713 -1.7824507 0.582062 7.7723155 19.105864 -10.649025 -5.9596114 16.860363 -9.940507 1.3845837 9.03108 -0.99135876 -10.468715 0.26036337 0.32281208 3.2494822 15.556377 7.2488203 12.116887 -3.4429846 -15.174703 0.2270518 -11.074165 -2.5813372 8.3654995 -5.945215 19.000652 9.709361 -12.96681 -3.619844 6.669271 7.285031 8.878201 -5.9376063 3.0814497 -0.7657684 18.257254 11.443541 -8.218221 -2.1440222 -0.4362255 -0.6472564 -10.741702 -0.34183508 2.8845766 2.058771 -4.1588693 0.12923613 2.6497695 2.005066 9.372556 7.992786 -0.76532173 0.75074816 -9.787324 2.5426304 3.1015654 2.167587 0.78032297 -1.3763908 -6.95736 -6.948993 6.3527813 10.5707855 0.24125353 -3.5226815 2.7984524 -1.4249201 4.037769 8.7280445 -3.0439234 5.3205256 -1.9039135 -0.06494773 2.0262866 0.6814927 -5.9210505 -0.55785966 4.103862 -4.5941668 0.17607477 0.3111499 -8.30073 4.091682 -8.750088 -5.25368 5.1592846 -2.8546965 2.0962875 -2.0637217 -0.92234194 8.7177515 -0.5681429 -1.0140474 -0.29601336 2.0359392 3.8592615 2.1388543 -3.2144527 -0.6903696 1.6002946 -5.939903 -4.378859 -0.12889546 6.4152117 -1.0280929 8.165137 -2.6550462 -6.609608 4.5801306 5.55782 7.479541 3.3237958 0.112330705 -4.4519253 -1.0939759 7.8092813 -13.317203 -1.9382728 -7.5990534 0.19468692 -8.794523 0.6599914 1.9966407 -2.3607218 -2.880995 4.8260093 4.3293076 10.208537 0.43376106 1.7278655 2.144266 7.671282 9.850271 16.182407 5.123761 3.3521242 -3.2054417 6.410492 1.51965 -7.8884025 -3.972871 -1.7377346 1.1632197 11.808911 -5.5217667 -0.80542564 -1.8165227 8.475732 1.4772918 12.515106 -1.3125612 12.175299 -3.977641 7.9820676 -10.461982 1.8592343 -2.002538 7.6515 6.1323876 N-[6-(DNCP-amino)hexanoyl]-beta-D-glucosamine is an N-acyl-beta-D-glucosamine where the N-acyl group is specified as 6-[(2-carboxy-4,6-dinitrophenyl)amino]hexanoyl. It is a N-acyl-beta-D-glucosamine, a C-nitro compound and a member of benzoic acids. |
70678761 -7.760932 10.08205 -12.627403 2.5228534 -6.4617987 -12.994676 -3.8729355 3.8444622 -2.134971 9.661654 -3.5074728 -22.225576 -2.0011592 2.1365473 -9.473731 -5.2655606 6.1038613 5.94274 -26.328674 1.3454138 -13.399097 -14.837684 -6.458508 -19.672306 -11.520919 12.8143 3.1108928 17.702589 -12.151327 -13.106708 -2.6433144 -9.512841 6.699435 19.361109 16.287807 8.809923 -13.867252 6.041191 -7.370856 10.28198 -0.428933 -3.429838 -7.7880034 -6.337589 -19.4771 -9.338485 -0.65211666 14.293505 4.062693 16.796757 6.598006 -0.34819922 10.997436 11.420615 5.2054596 -0.8934971 2.7216651 -2.2740276 -2.0123363 -6.8973417 -0.7625359 -6.6007204 3.5065937 17.717665 -4.3530626 -3.1481724 17.046257 18.368671 3.7319682 -4.0534334 0.37384614 10.483667 -16.93448 -4.8168945 5.9627333 -11.149659 -15.482584 20.71126 12.16243 15.351897 -1.8463984 -14.586554 2.577185 22.684484 6.288404 -0.8051635 10.369861 3.7310805 23.781425 -15.060333 -1.1733121 -1.0496593 4.3556323 4.1627364 -10.033569 11.192641 4.058257 2.1115196 -0.43959883 2.127196 1.7146841 -4.958344 -22.01134 -2.736197 15.388483 3.071201 1.9478291 -0.8842817 0.63131595 26.899414 -13.053659 -6.317951 -18.72342 -6.913307 16.217264 -5.334989 5.7320843 2.2404375 13.470837 21.064817 13.023574 0.21085544 -24.35519 -8.908512 15.02363 -26.958021 31.73499 13.341821 0.030094765 24.13609 23.185148 -17.409784 -14.892685 16.40598 29.875702 2.3830585 13.309015 6.9070873 26.464682 16.331661 -10.614888 -10.313952 -0.030397376 20.778656 27.95351 -15.224867 -11.5828495 21.578892 -18.995857 -2.0613198 6.2298136 -1.0285256 -35.412777 3.985609 -2.8557336 -3.2584605 30.045805 13.184211 22.951994 -16.081415 -18.44747 8.984529 -26.241253 -13.021072 8.991486 -7.104154 28.864838 21.72612 -15.7262745 -9.116029 -3.8074298 21.460363 11.907137 -6.3073273 -3.8032472 -12.177844 17.814518 27.178955 -12.755169 -4.000138 -1.1443311 -2.8257966 -14.813267 -9.055612 15.91912 -8.885908 -1.7250125 10.555314 19.510723 4.3939085 16.528769 21.605783 6.4312167 -2.3851576 -7.1378016 13.285844 9.108176 8.419124 3.7636287 1.718561 -9.163373 -14.571614 12.129306 22.361675 0.6059 -0.55188507 3.6301944 -8.512221 1.0843627 3.9186523 10.324823 4.976414 9.859873 -11.238596 13.898136 7.711155 -3.7700474 -2.257033 1.1806763 -3.5521982 7.104569 -16.077421 -11.972169 4.865696 -32.259586 -10.910055 -3.6778455 -6.627421 -10.050272 1.4234575 0.55757093 7.1861467 -1.6554811 -3.974441 -0.16128252 -0.29184857 21.53502 -0.9832884 -0.21792652 -4.6362224 2.0370977 -10.43045 -6.207099 1.1327176 2.6807377 -8.056898 5.3056703 -2.2736256 -1.9293087 3.8287346 28.239674 7.662387 -13.238266 11.669739 -6.487881 9.131229 17.422722 -19.736263 -7.6225796 -7.3907466 -4.725335 -17.352188 -16.857199 -0.68657196 -6.5520515 0.4793887 6.112185 -0.9736613 17.011486 0.2397401 -4.228916 -8.843883 -1.9724305 11.956535 11.191193 0.84112966 -0.75667006 -1.086328 -0.5236111 -15.519588 -27.889013 -7.0342674 -9.510871 2.8288672 21.02825 -12.0571 -9.63007 3.4662051 26.781 3.7006185 8.368216 -11.160065 26.225033 -4.7460876 1.1351999 -19.413586 15.295906 -3.0879765 3.6161706 12.757688 Glomosporin is a cyclodepsipeptide consisting of a 3,4-dihydroxy-4-methylhexadecanoyl group attached to the amino terminus of the linear heptapeptide Ser-D-Ala-Asp-Asn-Asn-Ser-D-allo-Thr which is cyclised head-to-tail via the 3-hydroxy group on the hexadecanoyl chain. It is an antifungal drug isolated from the barley solid culture of the fungus Glomospora sp. It has a role as an antifungal agent and a fungal metabolite. It is a peptide antibiotic, a monocarboxylic acid, a primary alcohol, a secondary alcohol, a tertiary alcohol, a cyclodepsipeptide and a lactam. It derives from a 3,4-dihydroxy-4-methylhexadecanoic acid. |
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108161 0.88145983 9.451102 -3.4076548 -4.567932 -6.4804115 -11.6762905 -3.2031164 -0.25058404 2.8294513 4.047513 10.376902 -8.892452 -3.3551042 14.061119 6.0403504 0.1677173 12.449698 0.80099046 -21.754768 10.405451 -3.325672 -13.426211 -3.9714627 -4.3884053 -3.4001758 -0.61865383 -1.1960351 15.331806 -0.9764675 -5.9670506 1.4067088 -2.736664 3.2793598 9.639964 9.9557085 3.2647452 -3.9482806 7.6868515 -0.93926305 -3.1624753 -5.607522 4.1497293 2.0063498 -9.999703 1.9650079 -2.903013 6.959635 -4.304773 -0.25194257 10.887021 9.979641 -4.5072494 5.872372 5.476787 2.6475654 6.8554854 -8.499442 0.012012601 -7.035422 -3.2448797 -1.1958966 -3.2678826 -4.7398825 10.71183 -5.5021205 -1.9137148 4.3951197 7.6449914 -2.6431913 5.427954 1.9213012 1.2277578 -7.635743 0.60886717 -1.0843896 -6.5952673 -12.312553 16.76651 11.378218 13.874687 -7.6568837 -6.7266045 -2.27704 5.3022714 2.4254854 -5.7771363 1.8217237 -6.7101107 15.823742 -5.703906 -0.7961982 -2.7159088 -4.3599515 2.238035 -2.7435908 6.7048535 3.8585606 0.96315074 -3.77701 -1.6580813 6.74999 -12.809933 -15.165469 -3.3974674 10.372752 1.9016978 -2.685418 -6.473401 -1.9440708 3.9908655 -7.4500766 -0.8817522 0.13793212 -0.65080756 15.150051 -6.60288 0.9487161 -1.2770449 6.1304917 9.40913 5.5199184 2.290152 -11.620828 -1.8119867 11.588016 -13.798958 13.321333 6.1664405 -8.440081 6.056017 5.6820135 1.17473 -18.672258 7.7396216 20.271833 7.595843 3.66649 -2.506018 10.425088 14.900525 -6.997532 -2.6713004 -5.6069393 4.8493247 13.703162 -8.325982 -9.360339 9.098513 -10.782364 2.8618503 9.664532 -0.11292497 -20.429996 4.2466445 -3.2262993 4.5001154 14.854037 5.127925 0.65142125 -9.568941 -9.434795 1.1785061 -7.3290257 -1.5845256 4.6956716 -8.202705 22.871984 9.592326 -9.0347805 -6.9480376 0.5391102 5.265614 8.4523945 -4.903882 -1.7476473 -1.5174038 8.653492 6.108232 -3.417375 4.170765 -1.4710824 -0.7808244 -11.645122 -3.035873 2.934939 -4.579158 -7.835594 5.2271943 2.0367258 0.46440056 3.681992 5.707495 2.9000962 -0.34175298 -6.6504483 0.71413785 7.440193 -4.353976 0.67273444 2.4774222 2.5399187 -9.632445 6.0181384 9.536885 6.0201545 0.9032597 -0.46223414 -1.6653986 5.3398232 6.767862 1.0279436 7.791722 -2.9614224 -2.8164413 4.136627 2.2556279 0.8302176 5.1789727 1.2150875 -0.18199301 2.8299243 -8.079708 -2.233191 3.8108606 -9.788128 -6.8893623 1.767077 -4.4020042 3.219877 -2.0082135 6.5903163 9.2610855 3.527708 -1.4172276 -3.2031434 2.4090047 -0.79315007 -0.9947107 -3.8947093 -8.523638 -2.0815282 -9.094996 -8.533214 -0.12490347 1.4929758 -4.9350915 3.2131763 -0.7705363 -2.8447628 -2.6581936 3.4763417 6.2243834 3.4625444 3.624281 0.043108203 1.5714216 3.7895544 -11.567365 3.7621455 -2.8647268 -5.7698765 -8.7883215 -6.1100597 0.9990814 -3.6683474 -1.4200014 5.224982 2.8448052 5.3497972 1.5004853 4.107034 -2.0757563 0.2501425 11.258868 14.898074 0.7634328 3.867518 1.8404577 2.6314242 -2.2658548 -14.358685 -10.245268 -7.957949 8.243454 8.490157 -11.797881 -1.0072129 -0.5604448 12.720375 2.2797065 1.5420663 -4.879197 16.381557 -2.7005706 2.1330023 -12.524441 4.5386457 -2.9437733 5.456833 10.488662 4'-deoxy-4'-iododoxorubicin is an organoiodine compound, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It derives from a doxorubicin. It is a conjugate acid of a 4'-deoxy-4'-iododoxorubicinium. |
92804 8.741807 4.9642925 -2.4417737 -3.2862227 -6.9193316 0.44035235 -5.0965476 -2.7174354 -0.09509744 8.579073 13.487927 -10.783417 -2.3485131 15.613695 3.544947 -0.36580592 15.403488 -3.3895972 -8.143637 4.959332 -5.428985 -11.129923 -8.794197 2.2069635 -10.202275 2.886366 -2.5650427 18.632416 -0.2775668 -8.221333 3.873479 3.729041 -3.4362984 7.2458873 14.043214 -0.43304157 -1.0875202 3.4194188 -5.5491242 -0.3142982 -7.3647003 3.5681214 17.025503 -6.196051 -2.9652178 -1.7701402 3.7031693 -2.8643932 -2.7040563 3.8038194 6.487311 -7.029284 3.1741004 0.83125263 0.53676224 12.509457 0.59045 9.079543 -1.6865318 -0.97955483 8.064376 -9.639278 -3.5524845 15.907345 -4.3471756 -3.4025505 3.5073082 5.201562 2.446256 -4.955939 -8.8060255 0.8501626 -8.739549 -4.69874 6.8800874 -5.2706714 2.558739 14.469114 5.979306 6.465116 -3.263456 -0.9258326 -2.3192623 10.849858 3.962713 -6.743239 3.0282974 -8.466286 16.423203 -5.3234496 5.541691 -3.8075738 -6.9248962 2.5178976 -0.7210136 10.112885 -2.4331985 5.9203625 -7.3307977 -2.2843275 1.0652727 -15.905698 -5.971713 2.946161 5.8761954 6.9959474 -9.241634 -11.777203 -6.53001 10.619005 -9.564588 6.1505327 2.7242322 -1.8399725 7.618416 -6.0972466 -0.313811 -3.6798885 5.750659 11.558286 2.119343 6.3459845 -3.4199548 -2.1095855 11.430502 -13.135033 11.451385 3.0440776 -2.5973387 9.306559 2.6133587 0.4584607 -13.215396 1.492522 7.6844397 5.520692 4.280947 4.641028 11.285425 8.145259 -8.735777 0.17903781 0.629359 6.289457 -1.6786594 -7.790581 -9.419199 5.878662 -2.903648 -1.1547785 -9.42483 -4.168616 -9.097617 4.960794 6.7782645 -4.835397 2.9044337 4.895283 7.5472083 -6.032174 -2.2493637 3.2631214 -7.945534 -4.7832265 -16.298298 0.7537443 8.436725 2.5395758 -4.1992006 -4.932229 -0.12473643 6.8109794 -1.6717494 1.7308443 -5.0360627 -4.891923 -5.684474 8.062613 -3.6737635 2.1068456 -4.11427 5.9621234 -7.808344 0.4408345 7.1796284 0.28627938 -6.8529706 4.5018644 0.5842807 3.2894893 8.75695 6.3920875 6.6038 -10.4742155 5.6931286 -0.4013292 9.052426 -2.8159132 2.1398053 4.218261 5.765037 4.170455 6.9343452 10.448885 4.103039 6.3929725 7.593069 -1.5067512 1.8477262 6.646881 0.271153 -2.1480055 -7.9257097 -7.5180845 5.222438 1.4347456 1.8423474 -3.8369496 0.70682764 6.17071 8.636961 -7.54787 -6.51621 -2.9070044 0.68377995 -10.539339 -1.7757906 1.1537861 0.94383067 8.269487 -1.7596372 0.30297595 5.1175246 -5.5686517 4.2969437 3.8043754 3.4498267 -0.095749825 -1.012193 -12.7420845 -7.9724045 0.228846 -6.8023243 3.4358675 -10.309737 -2.041545 -0.40367317 9.187419 -5.0313272 -6.325237 1.0979316 2.2090898 -0.6548156 0.2517106 -0.5341383 11.1838875 6.366528 -3.3130407 4.104489 -1.4338806 -10.846193 4.6442165 -8.78843 1.3147783 -6.814782 -5.8439274 2.562647 -2.0224335 7.1702347 -2.020351 0.9702172 -3.3793473 -4.796572 13.629767 8.309928 -3.5819001 -2.273682 3.2944138 -4.3682475 -10.321149 -15.132032 -4.546993 -1.2544397 2.2783298 -0.2930624 -7.094465 -15.202792 0.8002154 12.084397 5.401278 5.904907 -1.1839924 14.639362 3.7981946 -6.754337 -15.800428 0.3393504 -3.2536917 -0.32463998 7.7635384 Hop-17(21)-ene is a triterpene consisting of hopane having a C=C double bond at the 17(21)-position. It has a role as a plant metabolite and a bacterial metabolite. It derives from a hydride of a hopane. |
91825734 12.570514 24.48898 3.1576965 -8.751288 0.60827374 -28.48553 -9.67477 12.636031 7.995968 20.151678 24.141317 -18.541971 -3.074404 19.279129 8.262416 -8.502551 14.713465 -3.4404814 -37.189175 17.83951 -27.20261 -25.633379 -26.965172 -13.278275 -24.56137 7.808602 2.561498 29.30281 -7.4196258 -20.170553 -0.45186836 -0.011204392 0.5289705 19.351835 27.032516 7.7673216 2.5987828 20.562511 -5.1386075 5.21642 -18.622091 2.9441023 7.4662476 -9.977144 -14.913548 -1.5128942 11.461591 -4.018285 -7.442567 9.806733 26.546364 -6.5511026 15.435664 7.7775583 19.19801 3.3734462 3.6792521 4.0045276 -11.041225 -10.616504 11.677509 -15.956751 4.6842318 20.347052 -6.579103 -2.7931058 10.751616 6.870021 6.1442165 -0.8595425 -4.6170554 8.704822 -22.932812 4.8714137 4.281757 -3.21968 -18.461723 15.085818 10.136665 10.8739 -9.817783 -12.883809 -2.62853 14.406857 4.067185 -10.161154 16.225264 4.760135 27.063854 -12.721038 0.24071452 -3.7195554 0.3010756 5.1892333 -11.487051 8.599698 12.467874 -0.6289311 -0.06330862 1.4595304 8.379909 -2.6562219 -17.470028 -0.90038276 4.18989 -1.5098436 -6.384591 -11.124127 0.30365995 27.846182 -26.413977 -3.851312 -5.6116476 -2.3079896 22.782614 -3.844295 -3.6758235 -3.1608303 16.8705 17.614748 19.149977 0.2917927 -28.599699 -3.4024293 18.86746 -30.010378 35.464993 18.938866 -4.917437 27.504328 14.221928 2.8453417 -25.635006 17.574705 30.067875 6.015754 13.230622 3.0917869 31.814342 20.780376 -5.508533 -6.0449486 3.7457323 20.245857 23.423899 -24.338455 -9.368882 27.90959 -22.320715 1.7449988 9.681652 -1.5786734 -27.314138 2.7443693 -0.2811019 2.186855 21.379667 21.553707 23.578642 -13.255865 -14.468282 4.8864093 -26.806597 -13.978423 -3.5197797 -14.626004 32.605434 10.490614 -21.922335 -4.6667666 5.033057 13.607649 11.358763 -6.455509 -0.656319 -10.589596 20.35301 16.465813 0.23123349 -1.3605193 -1.5206816 5.3139296 -15.064488 -3.9367862 15.92732 0.24270521 -5.988016 0.14826974 4.629011 1.0162888 21.394308 16.988657 8.826775 -10.052682 -5.308709 4.6894035 10.671002 -5.204998 -2.595903 -0.0066537857 -5.4983416 -10.516897 16.046827 23.430614 7.565567 11.461684 7.014106 -3.6029315 14.868424 18.638521 2.8520799 0.9593859 -5.4524436 -0.59175533 2.547274 12.345335 -2.5967855 3.6684499 10.246606 3.8207965 3.439454 -15.488781 -11.575622 6.1321836 -13.2902775 -18.200968 -3.896676 0.29076892 1.8234048 1.3324136 -2.668518 12.06458 0.05015436 -8.460341 4.4486327 5.3205748 18.697596 -4.4152336 -0.9766552 -13.143228 2.3888211 -1.1927494 -6.486945 -4.071067 5.8436337 -4.4087625 2.8762794 0.09372349 -4.299979 -6.700254 15.534494 8.390564 4.235141 2.1756907 -4.379957 14.89745 8.437039 -19.470863 0.017847173 -1.3101696 -7.8295326 -4.5684257 -7.1242523 -1.3661947 0.14029333 -9.433824 6.41841 1.5244333 12.748404 -7.7390733 -0.095113106 5.9741783 8.653654 7.6020303 29.529926 0.55799574 -1.5914745 -13.234732 -3.4186394 -4.220397 -6.517291 -12.15196 -8.929346 3.599548 13.02125 -16.093014 -11.995845 -7.074156 15.052919 -1.6640062 17.469986 -1.2620354 24.995554 -5.976473 -0.86284137 -24.583675 -2.4741862 5.975553 6.8052983 11.316591 17-hydroxy-3-oxopregn-4-en-20-carboxy-CoA(4-) is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 17-hydroxy-3-oxopregn-4-en-20-carboxy-CoA; major species at pH 7.3. It is a conjugate base of a 17-hydroxy-3-oxopregn-4-en-20-carboxy-CoA. |
24779458 4.6096473 7.5156894 2.5096967 -6.2196283 5.7982244 -7.1855493 -2.4041877 6.779075 -3.9388433 4.3012238 9.09309 -8.744722 1.1786833 1.1868434 -0.75547385 -5.7741895 -2.54084 4.827125 -14.771005 1.3806753 -6.8317237 -7.6049604 -1.8154235 -11.225296 -6.95602 7.9384875 -0.6988149 10.848201 -6.8867474 -8.960682 -0.0004505515 -6.2756367 -2.8373303 6.286206 9.039254 7.6135106 -4.1061535 17.882862 -2.219376 6.4214745 -4.7903976 -6.6772017 -3.2795448 -4.6749153 -12.524688 1.5910833 1.3092306 1.613431 -0.08801249 4.1165695 10.638887 1.5022112 8.220606 3.4711678 8.61381 -8.575995 2.114969 -1.4873399 -2.641858 -5.8671165 -0.34062228 -12.5061865 4.4502263 13.207688 5.0315332 1.8553959 1.4604986 -3.5669658 5.814358 -2.701618 -0.6329803 0.76737595 -7.2198243 7.355244 -1.2438343 2.6173506 -6.7018557 6.5022626 2.0931792 4.9457874 -6.637167 -2.0315719 -0.19467586 5.878384 1.0949259 -1.1834123 7.446 6.112594 15.039477 -4.9165688 -0.6020566 5.820614 7.123922 -2.3480203 -2.2977026 1.7867879 6.268569 -0.94615877 7.4212456 7.8872514 7.332412 5.475685 -4.2772675 -1.1881255 -12.188378 3.2860856 1.4719294 -2.6288707 5.116638 12.868993 -7.7084584 2.424827 -11.5751705 -1.4857527 6.09093 4.78569 -2.6384292 3.5672462 6.364406 8.325293 14.238253 2.3619494 -11.022382 -0.003276378 4.4184546 -21.573265 12.399419 14.99569 1.5414569 10.269808 12.007454 -7.382944 -6.4982395 5.7898602 9.194486 0.40945783 5.943705 3.2660308 17.187511 1.3327179 -7.639147 1.5544413 -0.71633637 5.2505555 16.011496 -16.982994 -2.141437 14.899337 -10.378924 2.0504131 6.06989 0.9637186 -12.394241 2.0993347 -6.190516 6.435023 6.7921734 14.198745 18.398373 -1.8677168 -10.820373 5.2101455 -8.997651 -8.699288 10.857462 -1.4541227 8.130004 11.196837 -6.817743 9.054744 9.164987 13.775241 0.56403124 1.3583707 -2.7549539 -1.202312 20.308275 6.4486933 -10.473399 -14.247213 1.2948514 2.7026968 -7.208327 -3.4013486 8.344469 4.604343 -4.23227 2.8220453 4.1065936 8.26497 6.055713 16.707851 -2.2141616 -1.6737849 -0.6330285 0.19863158 1.2109632 7.579926 2.9063365 1.8985038 -9.5534935 -2.5360594 3.9157605 4.4540706 4.9731474 -4.6030793 0.4556112 -0.24987736 2.238765 3.8790126 -4.7684574 -2.257835 3.0902817 -8.243996 -3.144785 1.4936069 -6.079458 1.5423201 13.064005 -3.4023218 -3.8418553 6.0738263 -5.855604 4.119 -19.10449 -1.8512467 -6.4577026 0.599143 -4.0069437 6.24747 3.2503922 5.488058 -5.539643 -7.41619 3.4043455 0.35763326 13.759972 -0.93859464 -7.045779 -0.4244966 0.06408453 -1.1880755 4.8746486 -5.393063 6.919482 2.6348767 1.1505158 -1.2248814 -1.8514777 7.122674 4.5154243 2.9675329 1.3621087 1.0747281 0.85905254 -2.0178 5.4837804 -9.091789 -6.655369 -5.0639997 4.4136415 -6.4645424 -0.26827967 -7.3780813 10.780001 -0.5696786 0.8936997 -7.2302985 8.175221 -4.526152 -5.3036575 -1.7178801 4.695993 1.1448925 6.1027074 13.237908 -3.7173438 -8.283396 7.283264 -3.874422 -2.0003006 -3.726047 -5.730042 -1.4665222 10.224073 2.3493083 4.241249 -2.3175554 5.940983 3.3444648 11.167708 3.995238 8.462901 -3.6328287 6.915328 -9.789816 -0.42637852 3.8041666 5.8367434 7.5560727 1-pentadecanoyl-sn-glycero-3-phosphocholine is a 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as pentadecanoyl. It has a role as a rat metabolite and a human xenobiotic metabolite. It is a lysophosphatidylcholine 15:0 and a 1-O-acyl-sn-glycero-3-phosphocholine. It derives from a pentadecanoic acid. |
440756 0.15658614 3.829925 -0.522146 0.07120283 0.13343784 -3.3167849 0.27368838 2.1052415 0.3580113 1.1544282 1.6531652 -2.0429285 -0.95022786 1.4220694 -0.7913496 0.047849253 0.31656873 -0.9199977 -5.4826174 2.9460828 -2.7181346 -2.9799812 -3.3378968 -1.2478498 -2.3179271 1.0624279 -0.3620656 1.7844706 -0.50140995 -1.4545041 -0.28413174 -0.25297785 0.93428284 2.229681 2.8299365 0.9457071 -0.47286302 2.1105895 -0.14906733 -0.21232869 -1.684969 0.1542051 -1.1824036 -0.9475321 -3.3149686 0.5431627 0.83821416 0.47630042 -0.45727238 1.0919161 1.862601 -0.23261753 0.7462431 1.0382899 1.8866215 -0.23452799 1.0512362 -0.1153422 -1.4090841 -2.4558177 -0.24867503 -1.4033937 3.3071375 3.2528589 -1.0946038 1.0071766 0.8509203 0.50445044 0.37985975 0.795084 0.5089694 2.444918 -3.4095078 0.82409203 -0.17033786 0.1465216 -1.8260692 2.0238838 0.4150837 2.002341 -1.450736 -1.2306441 -0.42952037 0.93976504 -0.12575163 -1.6329284 2.242987 1.0390229 3.3278751 -0.59176624 -1.182198 -1.1170156 -0.14135276 0.035623364 -1.142518 0.7300652 1.7894492 -0.96441895 0.6958893 0.9814085 2.6206837 1.5557665 -2.1422453 -1.2316235 0.034648377 -1.2847435 0.19778031 1.1431043 1.0465972 1.9543208 -2.248378 -1.4702107 -0.8068283 0.1846102 2.2797003 -0.9105432 -0.94457185 -0.3030706 1.268934 1.3908515 1.182134 1.2378561 -5.4891148 0.39061415 -0.14896446 -1.5813546 2.955589 2.8923414 -0.9497038 1.8557469 2.0801256 0.6564131 -2.1012406 1.926036 3.7150478 -0.9184931 1.2007279 -0.13867469 4.0437403 1.1372921 0.054883614 0.45850995 0.009705912 2.0953255 4.050226 -3.5207994 -1.7075738 4.585699 -2.8248239 1.4921902 2.8226285 0.61355436 -3.5688329 0.7268718 -0.89362967 2.3282986 4.1419606 3.1340015 2.3170345 -1.5310122 -1.2370323 0.20441835 -2.9241285 -0.9612925 0.8946346 -1.8715767 5.045484 0.71923584 -1.1348131 -0.11955637 0.2608481 2.4087481 2.0752373 -1.4212986 -0.45866564 -0.886185 4.3295226 1.7122409 -0.24421749 -1.6090271 -0.8980795 -0.8468408 -2.1568336 -0.3562329 2.3975692 1.1542661 1.0742038 -0.8927791 1.5182091 0.025891125 2.6944602 3.1247606 1.036202 -1.5412734 -0.85160506 2.272581 1.6008831 0.45419133 -1.0430828 -0.9558424 -1.7028079 -1.2624134 3.049076 1.8826915 1.9801704 0.45762867 -0.6155253 0.3588556 1.7479126 2.1638587 1.178456 0.5150889 -0.35513395 -0.051195905 0.1136826 1.2041615 -1.3342266 1.408765 2.4328082 0.14461382 -1.0864336 -1.4792029 0.20808053 2.0995119 -2.9192753 -2.1786482 -1.899714 0.24343254 -1.135191 0.4706056 0.27818614 2.0088093 -1.3533783 1.238521 -0.37599352 -0.49763533 2.0013292 -0.43267578 -1.2900612 -0.960768 0.28353742 -0.06510455 -0.19146925 -0.28515416 2.724452 -0.88804895 -1.4426099 -1.0047363 -0.19146025 -0.25681162 1.6702633 0.5109418 0.24866107 1.7692394 0.60382897 0.6674445 0.1534074 -3.4025216 -0.17803155 0.90843785 0.1188136 -0.6832662 -0.21761066 -0.25016597 1.7371806 -0.82174057 2.6062016 -1.0559585 1.5463624 -1.3870224 -0.32960868 1.597038 0.45814097 -2.3988013 3.374409 2.2244978 -0.4503645 -2.7256978 0.009722386 0.32801843 0.89538217 -2.4128344 -1.2037365 -0.06938662 2.5147114 -2.4874334 0.18817085 0.5254293 0.71534723 -0.27706456 1.5194904 -2.1965353 2.1555839 -2.171456 0.07322449 -2.5476356 -1.2638366 0.9823377 1.3531504 1.5720516 1-hydroxy-2-aminoethylphosphonic acid is a phosphonic acid having a 1-hydroxy-2-aminoethyl group attached to the phosphorus. It derives from a phosphonic acid. It is a tautomer of a (2-amino-1-hydroxyethyl)phosphonate zwitterion. |
92825 8.117464 5.3076854 -0.58431447 -3.0228848 -7.2117944 -4.658867 -5.992339 -1.8807397 3.8201728 11.497077 12.718305 -10.090032 -3.632547 16.247995 5.3764215 0.5955055 18.996008 -3.789478 -10.687365 7.1107116 -4.360498 -16.710989 -11.79337 2.2260666 -11.687832 4.0937223 -0.5061718 18.74056 -1.0464628 -10.517925 2.8434415 2.4140317 -2.9844704 8.324723 15.732605 0.5946705 -1.5989294 7.3655014 -6.664795 0.95812833 -8.978279 6.1851377 22.062723 -3.9994745 -3.4560041 -0.77540475 1.4421481 -1.1031016 -5.333748 4.5086145 9.151352 -9.294663 5.7772975 0.4229816 2.154394 14.216068 -1.1430886 12.723457 -1.240572 -0.7082314 11.960592 -10.457867 -4.765494 19.458765 -7.868973 -4.6406145 2.9201412 4.7413883 2.9333296 -6.1222134 -7.486198 0.46661773 -10.820059 -3.1508846 6.9323263 -5.670735 0.8053185 14.763993 4.6900234 7.581827 -5.0274568 -3.6532981 -1.053694 11.566511 4.2701783 -7.475727 2.8639724 -7.493028 13.42471 -3.0874844 6.5574155 -1.5673996 -6.1210527 4.468464 -0.60920894 7.912759 -0.7314098 4.439223 -10.296352 -4.725341 1.7408706 -14.194776 -7.311481 2.2865891 5.795956 8.509013 -10.018398 -13.4760685 -4.3437614 11.438199 -11.556733 8.207432 3.9701135 -1.8579928 10.115603 -7.0010333 0.2683934 -2.387101 7.8976445 12.1066675 4.213606 6.6855927 -4.817597 -3.3498952 13.582913 -15.028114 11.899407 3.9464233 -4.775787 9.853909 -0.06228187 2.9095774 -14.181351 2.5403135 11.886458 6.4456053 4.3471155 2.612001 14.994451 10.115865 -8.269681 0.64293396 3.307976 6.6312103 2.1881914 -10.858493 -10.563096 6.51584 -4.328208 -0.68359244 -8.382587 -2.8135924 -8.76175 3.4889338 9.624556 -1.2164863 5.9979663 6.635787 11.208444 -5.1369834 -5.8893037 3.6338658 -7.2642403 -3.5052912 -16.684092 1.2522273 12.279805 2.7535353 -8.407396 -6.0538216 3.6900973 8.698428 -0.010540351 0.63128406 -3.7569094 -3.045264 -1.0773768 9.159195 -3.157087 2.5314422 -7.3024063 5.4604206 -10.948141 -0.04902345 8.35287 0.52863306 -9.244191 2.038507 2.4883907 1.0946556 12.258988 6.7627444 7.089278 -9.687839 6.2801857 1.5357599 11.415721 -2.723804 3.3156297 3.7814314 3.034127 4.8078136 7.4204698 12.224553 5.1897388 6.413052 9.764735 -1.2658467 5.282159 8.299586 1.385732 -1.0876758 -10.326055 -9.977255 5.6870914 0.7196989 0.86437315 -4.570749 2.6296067 4.639417 7.3758273 -5.6719527 -8.226154 -1.2108848 1.2074487 -13.178164 -4.297646 4.353289 2.2298877 10.891378 -2.6968985 1.1636485 5.4603615 -6.23315 3.5466483 4.56802 4.3553805 -1.0012773 -4.853954 -16.159231 -7.3959417 0.90298605 -7.524459 3.0872998 -9.366188 -3.5899034 -2.079047 9.719245 -5.8837805 -7.450369 1.7317455 2.425163 -3.5317724 1.3856192 1.7711139 12.238496 6.739555 -6.052048 4.2202272 -0.7565405 -12.223661 2.1731117 -8.385926 -0.7280074 -5.7483573 -7.819503 5.2081566 -1.1767665 7.4651513 -5.1653314 0.5082042 -0.52965635 -5.457781 15.804741 8.381995 -0.79244316 -3.8159378 3.9833295 -3.492093 -8.160655 -15.563221 -3.393895 -0.40399525 0.42670876 -0.96082336 -7.713278 -15.665089 1.0015849 12.849483 6.4283724 8.761578 -3.0122054 18.443903 6.6312838 -7.497003 -16.68481 0.5693621 -5.4393516 4.7681017 9.26353 Gypsogenin is a sapogenin that is olean-12-en-28-oic acid substituted by a beta-hydroxy group at position 3 and an oxo group at position 23. It is a pentacyclic triterpenoid, a sapogenin, an aldehyde and a monocarboxylic acid. It derives from an oleanolic acid. It is a conjugate acid of a gypsogenin(1-). |
86289921 -1.0676564 9.703071 -3.5223868 -4.3452134 5.377636 -7.139839 -13.975637 5.6691847 -9.6843605 3.5570364 9.206712 -8.936455 0.5715323 12.737461 5.2393255 -5.6673465 3.6229346 3.3809826 -13.217276 4.7975535 -7.022566 -0.29492652 -0.75822294 -8.998341 1.379341 0.3208219 -3.400402 8.831166 -3.4001853 -8.423406 -3.8296866 -2.9207978 4.685437 2.360843 -0.93050855 6.877307 4.436291 3.590144 -0.42235065 0.11860226 -4.3434935 0.5289006 4.9941354 -5.341496 -6.207253 -1.5817956 12.090317 -6.585992 -0.69732076 -0.16471577 9.045068 0.821142 5.6775846 5.358858 -5.735096 -2.821016 -5.2978373 -9.531744 -8.752556 -0.8821969 -0.36144438 -0.39761555 -0.8063416 4.263704 -1.1873424 5.316094 -5.014681 -1.0168141 -4.390357 4.1361732 -0.16045389 2.9401379 -2.4495876 -0.1163353 -2.361235 -1.3401077 -3.2094781 9.607584 7.990284 10.599783 4.510814 -4.8555565 2.2982259 1.6167865 -5.9750543 0.19779938 4.0980935 -3.5757535 11.7355175 -2.67681 -1.0937303 -9.781319 1.5763202 -0.097908005 1.9354913 3.5253499 -3.153347 0.7405174 -9.72358 2.582074 -4.433618 -3.0651827 -7.4250846 -2.3238173 2.6714265 3.136327 3.7030828 -5.0801544 2.9262443 3.3487778 -2.2076151 -6.2269764 -9.085019 -6.0496626 9.447049 -4.8270693 6.5377064 2.654265 1.1402794 9.819047 4.751707 -3.571842 -8.883744 0.4898336 11.706165 -11.514585 6.1381726 8.488176 4.040105 2.3664486 9.897948 -1.4009084 -11.144978 3.746254 11.285937 5.8825235 -3.5809286 -9.084726 1.39217 7.1725693 -4.293733 2.341375 2.7590895 5.4675093 15.564992 -9.821924 -3.4440749 3.9769304 -9.247529 2.764215 16.187351 -8.597418 -17.281284 2.9342382 -3.2943826 -0.5035954 4.235377 0.61890155 3.0980492 -11.709238 -0.44928533 -0.25164115 -8.747257 -4.9167128 8.343997 -4.354951 16.085407 5.290996 -3.4121578 -2.9257355 -0.08735327 -1.7997744 10.008219 -1.0314949 6.1917877 -5.211047 7.111561 -2.6824474 -11.661514 -2.581967 12.667819 0.04835688 -7.3257356 -4.386159 7.827488 0.735228 -10.945041 5.2821126 -4.286466 -0.3215071 13.829305 -1.6248366 -2.3325896 -4.204806 -8.025454 -4.051683 3.030692 -0.4383635 -1.1957022 -1.3339703 4.214949 -15.86543 2.0160928 2.5002882 1.779674 2.9344678 1.15644 -4.951194 10.457435 1.9279242 -3.595325 12.1043215 4.799484 2.9760256 7.5779185 1.5241851 -4.554422 3.3194318 -1.5898584 -5.203499 4.3718863 -13.389801 -9.04986 -6.4363074 -11.154552 1.2159714 8.232027 -6.861546 2.819133 -4.8219385 3.267705 11.18088 4.465909 -1.971107 -3.9147027 -1.5312237 -2.2740092 0.53263074 0.98471236 0.23483828 -0.096947 -11.750604 -6.1084156 1.1439437 -0.9194113 -2.2291849 8.285727 0.6411216 -7.936012 5.543907 3.766109 9.640223 8.130579 -3.8151674 -5.540202 -1.9724195 6.241306 -5.4375978 -1.146006 -13.165659 -0.015724584 -3.7426972 -11.472884 5.1867414 -7.155077 -1.9458268 -4.485191 1.586114 2.0374713 7.096973 3.8395674 -3.8901784 3.3262408 13.779537 14.242895 -4.38909 4.2444735 8.729162 -0.54069877 -2.1003692 -9.448439 -11.870787 -8.359117 9.191629 5.387293 -0.6628495 8.778095 -2.4471464 5.8331885 -0.017414875 4.1611643 5.3974204 9.318455 -4.9461384 6.9159346 -4.5485444 1.9794492 3.9296784 1.7408484 5.3971148 DH334(1+) is an organic cation that is DH334 lacking the bromide couterion. It has a role as an antineoplastic agent and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. |
52921585 -1.1012862 2.6095316 0.0038400441 -6.477451 0.77536535 -7.402766 1.2361029 4.3423705 -3.0054274 2.440788 3.3237557 -6.7008367 0.5854011 -4.0747986 -1.7844387 -4.132655 -1.5871181 -0.8579122 -6.82306 3.9917321 -6.6291428 -5.9399652 -4.4103827 -8.410981 -2.4689837 4.332523 4.1174283 3.1333947 -3.4462702 -6.1942434 -0.35607216 -2.8676796 1.2067016 6.10532 3.4223201 4.768463 -1.9114183 6.872047 0.11773273 8.068501 -2.1162877 -1.5936944 -2.2558916 -0.503009 -8.122254 0.6087817 -1.5017279 3.3794577 -3.1162257 5.8467093 4.1771955 2.024556 0.91258144 4.1911726 5.6590357 -1.8431027 2.849204 1.6775459 0.540068 -2.5355465 -0.38723007 -3.8568141 6.5731416 5.2777987 -4.0696774 3.9278042 3.1559465 1.3891562 0.124497786 0.9448368 1.2570659 3.479435 -7.119635 1.1913526 -3.3933265 -0.5481429 -3.875059 -0.21780686 0.70673954 3.6756268 -7.7617207 -4.1314483 -2.5705807 5.113386 4.8230023 -3.5258045 0.75565946 4.2190356 4.8945346 0.35911167 -0.87935734 2.5089524 -0.29271474 4.497692 -0.835806 0.17153071 1.4779882 -2.141988 -1.3109152 2.9066055 3.9764965 3.880921 -3.2692156 -2.6929994 -2.1732533 -1.6666943 -1.6573452 1.2362573 0.118878834 6.356548 -4.263172 -1.411524 -6.205265 0.8673902 1.4773461 -2.8570068 2.0826635 4.159817 2.309796 6.5901194 3.9146461 0.6942456 -4.9850826 -0.787562 1.7988498 -6.664113 8.038911 7.6849084 -1.1684582 3.1986878 8.533674 0.016147912 -5.5710793 6.2646065 5.8674946 -2.0996428 -1.6034646 -0.13350472 12.927243 -0.12233734 -2.4501271 -1.2200515 2.6742318 6.2471175 8.5729475 -10.212198 -2.953942 6.4082932 -6.2366977 1.303621 1.672281 -0.18731417 -4.0457635 3.6042643 -1.2488941 0.68855727 7.6783156 4.6745267 7.5807467 -1.9397975 -7.808778 -0.29919758 -3.673194 -5.3815312 3.3406513 -4.87693 7.9135942 4.5231404 -4.6570053 1.346823 -0.42070413 4.784145 1.4438239 0.5937655 -0.8838023 -2.7732973 12.472129 8.184158 -9.076829 -10.904339 4.6596684 -2.3864186 -4.1183724 2.896911 6.0593357 3.9069874 -1.9580986 -0.32707375 4.224357 4.2502594 6.1391716 7.0799804 0.83567697 -3.204301 -2.8640194 2.0614564 2.6918755 3.4315324 2.4590032 -1.168071 -5.9989195 -2.7189538 3.1127346 4.8125515 -0.9177199 -3.752499 3.6718783 2.139307 2.7001417 3.3589966 0.27712536 0.6493877 0.8892768 -2.7589703 2.890283 2.795989 -6.2175927 -0.3282858 5.0207553 -0.08813447 -0.43228847 5.561894 -4.769415 3.9825628 -9.993946 0.4655657 -4.874998 3.5277915 -5.3084307 5.29594 -1.3007078 2.1443295 -7.438255 -3.7320666 2.4446683 1.8368627 4.838327 -0.44422096 -2.0749047 0.20121646 3.6877038 0.7186049 0.20382616 -1.7747957 1.9466946 -2.4294808 -0.35821167 -2.6845372 -4.145051 2.9774234 6.9901524 2.8288732 0.121212326 4.41891 -3.2300096 0.2969175 6.0517554 -6.005342 1.0742275 -0.36853456 0.1294585 -6.2690706 -0.961342 -1.6777668 2.8055189 0.77877426 5.038423 3.1078207 6.6384463 -4.264673 -3.3320115 0.1554665 4.456555 3.8084586 5.2934823 0.2706486 -2.1151595 -0.7501352 -0.5695034 -1.3105451 -4.967814 0.124016345 -0.7653698 0.3154335 7.080825 -1.505604 0.8757102 1.208626 4.218369 -0.71613157 10.063813 -2.7137969 4.8387165 -2.3541877 -1.8109717 -8.102754 1.3841283 0.7996125 6.09978 3.5655644 N(6)-L-homocysteinyl-N(2)-acetyl-L-lysine is a dipeptide in which the carboxy group of L-homocysteine forms an amide bond with the epsilon-nitrogen of N(alpha)-acetylated L-lysine |
6451998 0.70315266 7.1103244 0.48492414 -1.9067057 -2.335921 -8.231531 -0.95373404 2.1253605 -0.41701877 1.7707071 5.019983 -5.812706 -0.79996353 2.185456 -0.42868412 -0.22030996 0.19600679 -0.8067322 -9.822422 4.886002 -5.8189535 -6.4610553 -4.049131 -3.6223264 -5.2941694 1.9634668 1.1502032 4.7720995 -2.4632742 -3.972414 -0.110286444 -1.582577 -0.24983375 3.7112367 5.0831842 4.7133408 -0.620199 3.681612 -2.776589 2.8377595 -3.6464097 1.0064558 -2.4355092 -2.6131403 -4.3222456 1.4446127 2.0368516 0.34060875 -1.8947948 2.4809217 5.4933662 0.7934506 1.3506768 2.5387187 4.4349804 -0.1307045 1.4480898 1.6629119 -2.398688 -3.3281908 -0.204564 -5.1831512 4.4525676 6.4103694 -1.5631342 0.8316774 2.7598317 1.0175252 0.11949239 1.5661887 0.9716861 5.4340415 -4.984126 1.0917488 -0.93040204 -0.09780813 -4.8342986 2.0628548 0.8300374 3.8699963 -2.3218937 -2.763136 -0.8190564 1.5227342 0.1936645 -3.664687 4.167415 2.415022 6.6066494 -0.7973548 -1.7531042 -2.779823 1.174765 1.2864767 -0.4462981 4.0996003 3.4206967 -0.23992911 -0.5014088 0.83712703 4.549702 1.2792282 -4.5208564 -3.7859197 -0.24440202 -3.5851228 -3.2228677 2.3722515 0.7034573 3.0784013 -2.3660936 -4.771193 -3.1690001 0.4332963 3.2085574 -0.9492283 -1.9910613 1.6549438 2.0001726 2.9053297 2.3719254 1.8392284 -7.7722206 0.74125564 1.3030405 -3.7675314 6.142008 6.67009 -1.9062678 2.4162345 4.301689 2.3920798 -5.3603377 3.679454 7.0254803 -1.6533706 1.7984313 0.34332353 8.238464 1.2836012 -1.4787356 -0.43445823 -1.7893338 3.6813989 6.4320545 -8.129953 -1.1564475 4.396626 -2.1561372 1.1927719 2.372427 0.36292598 -7.22302 0.8581374 1.3025346 2.2604413 5.425118 5.1396832 5.0985293 -2.5303383 -4.0891523 1.2482986 -3.665699 -2.8592906 1.0823147 -1.4932932 8.142004 0.5129031 -2.6715302 0.52508307 0.35524678 5.707467 3.0847654 -1.364562 -3.193669 -0.74945956 7.999504 5.526619 -1.241407 -4.576231 -1.1263328 -0.54132575 -4.7533183 1.0570832 3.514 0.85850674 0.8377271 -0.2364016 2.0321746 1.6272593 2.5905197 5.271438 2.5569286 -3.1222463 0.8344967 2.0304167 3.6753964 0.97767544 -2.701171 -1.6017725 -2.7244463 0.56762755 3.9821568 2.680716 3.4857745 0.8669466 0.06014055 1.5240997 3.4354405 3.098913 4.13924 -1.3166603 -0.9545449 1.073799 -0.17978111 2.5931025 -2.9363923 2.0503633 5.2029185 -0.70492536 -2.8771808 -0.15578526 -0.3720632 2.9712093 -4.7721276 -1.7730894 -2.2745683 2.5431054 -3.2337434 2.339003 1.1547298 3.552381 -2.5455534 0.48540804 1.8177161 -2.8111627 2.1529794 -1.804213 -3.002226 -2.693923 -0.8951656 1.2317836 0.9941647 -0.75805616 5.5248065 -0.63345873 -2.9777782 -1.3189355 -0.28481022 0.30032367 3.5960908 1.0156478 -0.41335753 2.4102397 -0.36968637 -0.02586019 0.55357134 -2.9071882 -0.39511716 2.6121058 0.911072 -3.01572 -0.65704536 -0.47255802 1.856812 0.44614595 3.3155754 -0.8095076 2.565914 -4.6800256 1.5660245 0.15636773 -0.9171635 -2.8870015 7.2410936 5.5162754 -1.2972195 -5.2474837 -0.27208585 0.55421805 0.83259535 -0.87459016 -1.7407598 1.7165568 4.7307563 -2.8204143 -0.85212463 0.72984666 3.4181378 0.4972883 3.7462583 -2.1800177 4.586292 -5.6809316 -1.3482596 -4.9092197 -3.6649544 2.064783 3.9213672 3.183638 L-rhamnulose 1-phosphate is a deoxyketohexose phosphate consisting of L-rhamnulose having a monophosphate group at the 1-position. It has a role as an Escherichia coli metabolite. It derives from a L-rhamnulose. It is a conjugate acid of a L-rhamnulose 1-phosphate(2-). |
442625 4.128976 4.187129 -2.473668 -0.9291497 -3.1161075 0.60923064 -3.7016945 0.8054485 -2.8102362 2.3710246 2.6388912 -2.8752534 -0.8125966 4.3270884 -1.168636 1.5007893 5.6206045 1.1279719 -0.7101685 3.307027 -3.3491092 0.45860517 -5.8638883 -2.3120527 -2.7683232 0.7955022 0.5782863 6.5768795 -0.48957565 -0.6810555 1.1999757 0.78316915 1.1476249 3.163437 4.5055537 -1.7374096 1.0137899 -0.09921353 -0.17658605 -0.6280317 -3.515139 1.4583147 5.129539 0.10243444 -0.34835348 -0.32054898 2.0130224 -2.3689883 -2.439519 0.36834493 3.0689967 -1.6969148 -0.22140229 -0.18687513 -0.27251658 2.8662207 -0.16090435 1.2957855 -2.7627954 -0.37588423 3.0659509 -1.880989 -1.503393 4.2498283 -0.940884 1.2694186 -0.5183717 2.0275285 1.475609 -1.4086417 -0.78018284 2.6241605 -1.0157974 -2.8071017 2.314361 -2.8340554 -0.7740202 6.6927123 4.3148165 2.8608453 -3.3047962 -3.5335236 -0.21107914 5.413604 3.7733166 -4.341507 1.6747241 -2.8556783 9.183721 -4.587674 0.6958996 -1.7966175 -2.02316 2.3993292 -4.09185 4.938982 -2.4776006 -2.1671078 -3.1041913 -0.26836085 1.3941457 -6.123212 -5.069596 -1.0551481 3.8851433 0.9860618 -2.6892526 -3.0726979 -3.0332975 4.9876275 -1.1477382 0.3016179 0.75878936 0.8910211 5.6314917 -4.1959186 -0.19398749 0.072131366 3.9414632 4.27737 -1.3182462 0.9100456 -3.3197174 -0.8113235 4.1478677 -5.4088187 6.455469 2.640767 0.9459216 5.2041597 2.7673404 1.3067088 -8.993151 5.166974 6.818752 1.5564231 3.5919392 0.97290313 3.8445463 4.514201 -0.20308688 -0.5987435 1.9469163 5.0713973 1.4186043 -1.5931575 -3.626582 6.1894894 -0.7953453 1.7655892 -1.8874071 0.21324825 -3.4229589 -0.19552076 -0.06992318 -2.3741875 3.2695942 1.5292623 3.1178975 -3.038205 -3.8456595 -0.5416241 -7.0278683 -2.5970094 -3.8428469 -4.8604565 5.971905 2.9102836 -1.7915571 -1.634509 -3.3609703 -0.083982855 2.8939006 -0.812679 -0.22412042 -0.5747376 -2.461768 4.0527196 -1.8188998 2.1190348 2.0657017 0.93916774 -3.669983 0.7010548 3.545957 -1.81248 -0.12285288 0.82948345 -1.5107238 1.0971422 5.4846478 2.4307427 4.8017907 -2.7446997 -3.053936 1.4617088 2.0070167 -1.1267482 0.426499 2.2745285 3.7528496 -1.4655236 2.047517 3.4430797 2.3485212 3.361993 2.0043702 -0.74036455 -1.0434189 5.3576217 1.9514858 -0.6341297 0.016464055 -0.21785864 4.9523206 0.80875874 0.750947 -4.9280047 -2.5589569 2.0440097 5.45261 -3.0406828 -2.6312566 -3.5566254 -1.3942522 -2.4274423 -0.77000403 -2.2609344 -1.5088719 1.2067835 -2.6288426 -1.4629191 2.5649524 -0.40092126 1.3157531 2.6975286 -0.45619065 1.6207027 0.52819014 -2.6466544 -1.0397599 -5.110702 -5.2620964 1.1436065 -4.7457547 -1.4527005 2.707063 2.6166732 -2.7429094 -0.5874311 4.0180874 2.7174325 3.4990518 1.0802613 -2.2003267 3.8119972 3.2612443 -4.299026 0.18497543 -3.7325675 -5.261739 0.38451707 -3.6548376 0.9371368 -6.104596 -2.4013562 -1.2315638 -1.0052876 4.223375 2.6702702 -0.69299304 0.0068002567 -1.0279245 4.233222 3.9304347 -4.7055206 -2.904051 -1.8427378 -4.027726 -3.5918212 -6.676237 -2.3701305 -3.329295 0.6879935 0.7450188 -5.6038938 -2.9454324 -1.6099042 2.691667 0.71237713 0.9613842 -2.0547464 4.7443614 0.30399254 0.16914053 -5.3271995 1.7637315 -2.406505 -1.3675092 3.1937351 Ammodendrine is a piperidine alkaloid that is piperidine substituted by a 1-acetyl-1,4,5,6-tetrahydropyridin-3-yl group at position 2 (the 2R-stereoisomer). It has a role as a plant metabolite and a teratogenic agent. It is a piperidine alkaloid, a N-acylpiperidine and a member of acetamides. |
503731 -3.0727348 1.0024292 -1.721969 -3.90969 -1.0258136 -7.61841 -5.5533667 2.4855106 -1.2323716 2.2502823 9.692965 -9.3712845 2.018018 13.535181 9.099005 -1.558084 6.041053 -0.37434804 -13.3920145 3.0493698 -2.803123 -6.639898 0.3870812 -7.6938367 1.2301526 -1.835285 -0.68571424 10.526774 -3.6045437 -2.1780062 -0.5628565 -1.0460552 4.7999554 3.108313 1.5495365 4.970452 0.60950536 2.6187227 2.3486114 -3.4722495 0.781456 0.86022365 -1.6960907 -9.65551 2.5634398 -2.296306 8.571502 -4.67893 3.740554 9.068 6.192753 -2.1347804 4.509199 6.716241 -0.20035619 2.506179 -7.9449053 -4.744793 -3.9135332 -2.5994327 -2.7492127 -3.689515 -2.1475565 4.10602 -1.7608333 -1.5323615 2.0971847 0.6923859 -0.399987 5.3141723 5.378228 -1.0861695 -3.0890534 1.2359648 -3.0280747 -4.2619433 -8.949008 11.555752 9.037204 6.0615005 -0.34382614 -4.2465787 -1.2925789 0.595626 2.176041 -0.7678193 -0.6042322 -3.9476466 10.57684 -2.7082691 -2.0374436 -6.1066294 1.6513703 -0.6152875 2.7886713 1.4396361 2.3613517 0.7824632 -3.7218711 -0.45770538 0.94808424 -8.557028 -8.70438 -3.216978 3.7851467 3.4472082 -0.31635886 -4.4999466 3.7828732 -1.5096292 -4.6102304 -1.5841464 -5.3245935 -0.8022099 6.6135435 -5.9388742 0.51353157 -1.1730838 3.4672344 9.348371 6.055103 1.2779326 -1.8437977 -1.5383735 8.429715 -9.403495 5.7120028 6.408645 -5.546669 3.349484 3.5044029 1.1749864 -10.716416 1.3529587 12.274726 5.7587466 -3.1285522 -2.7259722 7.642366 9.439235 -6.5791936 -2.857627 -3.0314863 6.5378923 10.674693 -11.615477 -1.5281959 -0.3109294 -9.087336 1.4837732 6.9960628 -3.115065 -16.664928 5.019613 -2.5913892 2.1938558 6.92211 3.4097722 2.5449953 -9.423954 -5.308028 1.2132323 -1.3166952 -5.687502 10.0018635 -2.934476 9.997599 7.3202105 -3.5520163 -3.7706552 1.421947 5.036057 5.689026 -0.773572 0.65043837 -2.069781 6.83377 3.3271966 -5.1991715 2.1631913 5.0260024 -2.3047788 -10.337185 -4.1812954 5.3245306 -2.1953907 -7.7871876 3.7024796 -0.39692473 2.0243716 5.1551 0.9572604 1.5146928 0.044958457 -6.002825 -0.9450794 5.3910685 -3.1855452 -1.5303471 -1.087132 2.738664 -7.757826 3.2914057 3.6317363 -2.3752904 -1.3357556 -0.73545796 -3.4038239 4.794239 1.3714104 -4.14205 6.9505863 0.5081605 -2.531926 4.9802594 1.5439667 0.7107725 4.77803 -0.021976652 -3.1793292 2.3477669 -6.34492 -6.5305862 -1.6529415 -8.391885 0.055474646 7.17219 -2.6152902 2.2432308 -4.862562 4.618113 9.652494 2.2482514 -4.243407 -2.7108622 -0.10308372 -2.0613167 0.21169202 -1.3225352 -4.317795 1.4159452 -4.357046 -4.8000636 -1.5723791 1.3659856 -0.84366107 3.8778393 -0.34502888 -3.6493254 2.665942 0.70086825 6.162942 4.43154 0.7342894 -3.3098547 -2.356389 2.6058037 -6.346139 0.7967112 -7.4253964 -0.31803793 -7.3006077 -6.5416603 5.120044 -8.148212 2.076405 -0.56796813 2.5826612 1.9506848 5.427713 2.7628517 -4.1598797 0.9134034 12.471678 9.326889 -2.049754 4.3161 6.831464 3.6357603 -0.91143537 -11.625709 -4.2786984 -7.381776 6.4619155 6.90499 -5.202485 3.9856038 0.26314896 9.308765 2.6833386 2.8245869 1.9373283 7.491105 -1.7037753 1.9320567 -5.012125 1.8893411 -1.7907642 2.635307 3.9834957 Licocoumarone is a member of the class of 1-benzofurans which consists of 1-benzofuran substituted by a hydroxy group at position 6, a methoxy group at position 4, a prenyl group at position 5 and a 2,4-dihydroxyphenyl group at position 2. It has been isolated from Glycyrrhiza uralensis. It has a role as a plant metabolite, an antibacterial agent, an EC 1.4.3.4 (monoamine oxidase) inhibitor and an apoptosis inducer. It is a member of 1-benzofurans, a member of resorcinols and an aromatic ether. It derives from a hydride of a 1-benzofuran. |
470999 2.5011976 10.068306 -1.5761251 2.4158692 2.6774848 -17.092945 -4.451159 -0.11872597 7.5041037 5.5551424 -1.3655483 -6.5826206 -11.433455 6.2935314 1.39086 0.0018333197 5.739426 -6.608048 -24.71925 12.506963 -6.562974 -13.683661 -12.5078945 -3.87581 -10.23314 6.177946 -1.5824008 7.9609704 0.90047884 -4.203196 3.8269796 0.008817982 3.6112857 11.234854 19.312605 -4.0757613 -9.368943 9.510107 -0.8266305 -1.3951693 -12.502825 4.031885 1.1772933 3.6398597 -4.310626 -1.3694634 -2.381747 5.258479 -2.2422967 18.640684 4.495875 -5.0378036 8.218697 -0.035251 11.153839 1.8534553 -3.6516745 8.446986 -5.9591355 -5.185781 2.2442229 -6.7930975 2.5517902 10.05731 -6.4204392 -1.326591 3.6989956 6.787673 -2.4753938 -4.3604417 0.33967504 7.2667923 -11.305337 1.8402343 1.3746008 -7.328515 -13.388762 13.832193 2.3588486 5.62341 -11.693586 -6.7450366 -3.9122734 6.9636045 5.6509056 -5.692592 8.033952 0.5217185 12.281982 -6.108979 -0.35248017 -1.0614303 -4.3920627 2.761536 -5.217242 -4.141623 4.101246 -0.8523593 0.77589303 -1.9265449 12.193231 -1.4114376 -12.818371 1.414232 12.681545 3.2824657 0.2562974 -0.7451025 -0.8582269 6.1996403 -7.1474323 5.0982685 4.253966 -0.08482894 18.827145 -11.368106 -1.1214552 4.3752584 10.577172 8.823413 6.8672314 2.2032008 -16.002651 -1.2044945 5.504486 -18.484314 18.900679 6.3774796 -13.225097 6.689785 4.2536097 1.6158153 -11.082764 16.773859 22.301733 2.5730972 6.9918365 -1.0399874 10.709938 11.423544 -4.9972677 -1.5143685 3.3935645 3.9719734 18.301184 -3.076457 -10.117009 21.059143 -13.838449 3.7051153 9.625229 5.6030345 -3.9250443 1.6547289 -2.425155 7.8546557 20.652136 9.887096 14.800646 -4.593224 -16.123684 -1.9418266 -10.515562 0.019965457 2.9662418 -4.5996637 27.727924 7.0818167 -7.698691 -3.1258705 5.074541 7.868302 8.329043 -4.946456 -1.5355328 0.67921084 8.979718 10.008616 -3.0235991 -3.2525275 -11.436319 3.4727793 -8.983958 -4.173577 5.351437 -1.6788418 6.2511444 -12.673816 7.3481574 -0.5981623 6.206622 5.161868 1.8597295 5.0796795 -2.3635178 8.846372 -0.35600287 0.88946414 3.0118315 2.639992 0.6282606 -4.908667 7.0787554 10.995754 8.786749 0.01983668 -3.0885687 1.209302 -1.2753795 7.8400745 1.3267713 -1.2948527 -7.3353815 -4.234586 -4.0148373 9.677326 1.0760492 -1.756566 0.9194251 -5.4392405 -0.66673815 -6.1030064 1.03815 9.781354 -5.5709867 -12.307682 -13.767032 -3.2674036 2.7849412 6.7323 -1.5717252 2.3094387 4.1134057 4.439112 -2.0508924 5.2336297 12.866433 0.38798863 -8.966377 -5.403059 -4.481862 -4.569685 -0.60549223 1.6116271 4.6315665 0.24154687 0.54049885 -5.7377834 -1.3009819 -2.9357004 3.3831584 1.9091951 -5.523585 8.831982 6.2869954 10.563444 0.66885805 -19.22423 -2.6967354 3.7371728 -7.588868 -3.2983499 0.43594712 -3.69182 4.2260985 -6.6794853 8.352272 6.1971564 9.908087 1.0348496 -1.4897735 1.4441675 -0.18417826 -3.3772447 14.7812605 9.019814 -0.69113714 -9.111559 4.785267 5.566522 2.6205072 -9.570763 3.981962 0.3197027 7.0975795 -12.921256 -7.2244587 -2.2397926 9.099654 1.5429953 3.3027856 -9.779032 17.222364 -1.39991 4.035196 -16.412983 0.2713603 -3.7378087 2.8539748 3.9812768 Dibekacin is a kanamycin that is kanamycin B lacking the 3- and 4-hydroxy groups on the 2,6-diaminosugar ring. It has a role as a protein synthesis inhibitor and an antibacterial agent. It derives from a kanamycin B. |
16061112 1.9775207 9.476927 -1.609156 -2.8604834 -2.6733487 -6.956047 -6.8295736 1.4080622 -6.997651 8.488909 7.7043295 -5.3302765 2.2649193 6.249693 4.080625 -2.416531 5.728457 3.7841587 -13.417402 4.7666636 -3.592908 -6.5086856 -1.5520959 -6.491108 -5.087473 5.7985516 2.722452 11.386204 -2.5300705 -7.149145 -0.99566925 -5.576936 -2.3459406 6.467991 12.17862 6.1909685 -0.67605376 7.35148 -1.9671959 3.103238 0.32001895 -3.6208644 2.2337 -1.8275558 -7.4798217 0.31820023 0.28695115 1.382178 -1.9307827 5.445214 8.163843 3.1990168 7.879793 4.249834 2.2664623 -2.8414679 -1.7010425 0.08655918 0.12664592 -4.7415676 2.2088947 -7.752476 -1.3096662 8.578691 0.920246 -1.0359035 3.1880684 2.356029 3.6203673 -8.1510935 3.7509294 2.179017 -5.3539643 0.37177077 0.39630792 0.5909077 -4.220294 7.9225597 3.1379569 2.4194057 -2.9504588 -0.706799 3.7671766 7.791689 2.4375534 -2.6963556 -0.5273056 -1.6923364 8.992601 -7.422344 2.5811343 2.264241 7.1488695 -1.8873389 -2.167535 1.854843 -1.9699243 0.88909477 -1.2639632 -0.45245188 2.492788 -1.9883169 -6.5745845 -2.4124887 -1.0059731 3.8298345 -1.9084654 0.16293879 1.8801076 5.8141437 -6.1391644 -2.187534 -9.685231 -4.2468014 0.82612264 0.70687896 -4.6034436 5.6905904 4.8718357 7.0763516 9.413464 0.31886423 -0.2649608 0.3709376 9.131822 -15.269799 9.75028 10.615252 -6.442274 8.064359 9.809068 -2.927358 -5.0649724 1.4620078 8.51119 -2.1730676 3.2083843 1.4986154 9.487467 4.638755 -0.7260933 -0.4633738 1.6456524 6.6021852 8.633977 -10.24882 -2.9263678 6.0620685 -7.0993347 -1.1386118 0.505125 -4.2810826 -12.307862 2.7662256 -2.3592815 -0.051771738 2.5873 7.292433 10.80994 -4.4369364 -9.684932 5.7314463 -1.3230233 -5.2751436 6.674303 -0.51747 5.1290503 7.68293 -5.3200564 3.110583 -0.8462209 8.159924 0.9907249 2.1056588 -0.1816911 0.4693687 9.351341 3.5559883 -3.8067782 -2.1532867 1.4674368 2.5514636 -7.806186 -0.7927987 6.5434813 0.903433 -6.407026 -0.91797876 4.087114 5.785143 3.7766771 8.4849205 1.3427712 -1.929967 2.0000181 5.131397 7.760732 3.6196637 4.4039717 2.50164 0.25702906 -1.7062644 1.6959872 1.2343876 3.1320286 -2.591384 1.2802286 -6.7404103 3.6227393 -2.3404121 -0.32513148 4.259242 6.428951 -8.260255 4.262792 -1.9963806 -1.0002887 -4.8210297 3.8090441 -5.3497133 -1.5081645 3.7529364 -4.4237046 4.5767746 -12.225193 1.3219829 -6.7354813 0.51992154 -3.746578 3.7129722 4.983773 2.2409093 1.4945463 -4.8443446 1.5232543 -1.5686675 8.37843 -3.4073668 -7.03944 -8.437126 -3.7833154 -2.3309846 -0.33799797 -3.0292149 0.95735335 1.7436851 -2.6548817 -1.1178361 -5.441508 5.0556602 8.4862385 2.6804903 -2.5846395 3.9460669 4.3010187 -3.7005477 10.495074 -2.1903913 -7.855012 -4.126736 2.6106782 -4.3224487 -5.460461 -3.4164371 -0.88792765 1.717066 7.523419 -4.5019436 5.8920293 -1.9116588 -3.5318587 -1.0802193 -1.488102 1.491634 1.3350022 8.8914175 -0.061962634 1.0720646 5.7306013 -5.170994 -7.465298 4.509305 -0.60953516 3.8710184 6.686993 3.6219604 -2.2097096 -1.5103297 7.469559 6.538896 1.7560204 0.03078489 6.7301083 -2.247505 1.4256928 -2.7333255 4.180357 0.1785746 1.0900557 2.8702714 Prostaglandin J3 is a member of the class of prostaglandins J that is (5Z,9Z,13E,17Z)-prostatetraenoic acid carrying hydroxy and oxo substituents at positions 11 and 15 respectively. An intermediate of specialised proresolving mediators It has a role as a human xenobiotic metabolite and an antineoplastic agent. It is a prostaglandins J and a secondary allylic alcohol. It is a conjugate acid of a prostaglandin J3(1-). |
129626635 2.7105742 8.047096 1.379546 0.5851802 0.661157 -10.220069 0.82473123 4.4890494 2.746539 5.63617 5.530358 -5.558086 -2.0917053 3.8485456 3.5501444 -6.69079 1.1158102 -2.5667956 -12.91864 7.8215456 -6.024248 -7.9597797 -10.287563 -3.147468 -6.357744 3.6053267 -1.4033201 1.9689064 -0.2976241 -8.845041 -1.9174768 -1.5460503 3.094146 6.3909917 8.896027 1.1313053 -0.2445685 7.5523195 2.453195 0.68536556 -8.039995 3.089871 -1.9053768 -1.6614163 -3.86329 4.6550393 4.129189 -1.5649116 -6.127451 1.1652844 9.910487 -4.2596364 5.549867 4.6747193 9.289915 -0.2313609 -3.3727286 -0.47035864 -5.3382535 -1.9059267 5.4742656 -4.3414073 1.1186913 4.5707927 -3.217549 4.314243 0.7366898 0.7739803 -0.70365024 -3.1224246 0.93657804 3.5209262 -9.79442 -0.2501129 -1.7187495 -2.2061477 -9.538919 2.3719037 1.687574 3.055405 -0.4037463 -6.5791864 -3.7275298 1.2951801 -0.66457605 -0.7180581 5.97616 4.0664787 3.593416 0.48623666 -1.6054777 -0.6145247 1.010839 0.6856979 -3.8298678 0.633796 8.683045 -2.5844078 0.23405716 -1.6044807 6.099425 0.36820927 -7.2847214 -0.33302575 0.48224223 -0.66415 3.3910022 -1.0590696 2.018757 6.4622617 -3.6045275 2.217281 -2.0201309 -1.9297839 7.702368 0.39769715 0.5596305 -1.2345911 4.753464 5.8855686 8.860069 -3.3021202 -10.104667 -0.8805006 4.008757 -11.23599 11.2647 5.850297 -1.218273 7.329622 3.7733042 1.0684487 -8.861698 7.7749376 13.150702 3.2133172 6.701227 -4.093685 10.510427 6.1913276 -2.3118696 2.4471734 4.0697827 2.8855298 12.291663 -4.994897 -3.675805 10.118907 -5.095939 2.3957162 6.6619163 0.3275662 -10.964216 -1.5032146 -0.791681 2.3818812 10.380201 4.892248 9.003546 -3.5925927 -6.183245 1.2906187 -7.1135683 0.42722175 5.406106 -6.3748903 16.084415 4.9593782 -8.293133 0.98662305 5.539523 3.6931996 6.580297 -1.3438281 0.021111414 -0.11893298 10.3664055 4.286559 1.9777911 0.28724653 -2.867074 0.39956436 -6.1437416 -4.04172 1.5710995 -3.1699512 -3.1390355 -0.95001906 1.0606484 -2.9314778 8.7277975 5.8793283 1.158247 2.7390735 -3.0910156 1.9995831 5.3444996 -0.14603375 -0.86295015 -0.4652228 -3.3493357 -5.100692 4.9679174 9.231311 3.38458 0.40280408 1.7510031 -0.49782312 4.1759024 7.1508126 -0.8891264 3.3301287 0.27082598 0.19288279 2.949492 2.4106383 -2.672371 4.201895 7.570434 -1.3821411 -0.49131012 -4.9995384 -3.364057 3.663226 -5.4649916 -6.477346 -2.355457 -1.4610443 3.4584658 -1.3983548 1.9352062 5.9618173 -0.34148157 0.79316425 -0.7440321 -0.4293679 3.8601458 -2.381817 -5.163648 -2.2234197 2.137153 -4.1904473 -4.1909695 -1.2264647 3.2884617 -2.0430217 3.2780287 -1.1127282 -2.1717074 -1.3092374 3.6159718 3.496158 2.7511535 4.2644267 3.1582816 5.2175198 0.51879364 -8.135776 -2.8652189 -2.875925 -2.0151672 -4.0647798 -0.8126635 -0.95841014 1.2526034 -2.442874 2.7638512 2.2027526 4.529569 -1.263052 0.6004807 4.416218 7.9306574 1.5107056 8.920825 4.574399 2.245823 -2.560565 0.9754703 2.4686031 3.5278988 -5.6469345 -4.2715816 -0.16753143 6.20641 -6.2444057 0.5713934 -2.788338 2.3545187 1.4321208 6.262917 -2.3861773 7.281472 -2.8418405 4.723451 -6.4326534 -3.1074111 2.7144363 8.131159 3.9172647 Ni(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide(1-) is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of Ni(II)-pyridinium-3,5-bisthiocarboxylic acid mononucleotide; major species at pH 7.3. It has a role as a cofactor. It is a conjugate base of a Ni(II)-pyridinium-3,5-bisthiocarboxylic acid mononucleotide. |
1988 2.3469882 4.447562 -1.4222596 -4.083003 0.7007212 0.005389273 -4.5860696 2.4861429 -5.146259 3.0592003 6.3575187 -4.8094397 2.6342304 3.8249173 0.9555466 -3.5094295 1.8968441 0.35777786 -7.545545 3.6380303 -3.4060726 -3.102938 -0.98286456 -4.780577 -0.72015446 1.6361148 -0.6963592 5.876578 -1.8420632 -6.4381638 -0.41054633 -1.4172667 -0.71141875 5.329435 1.5322181 4.3209715 0.4154122 6.8334837 -0.34267083 1.3141419 -2.5115323 -0.57796174 2.1357908 -4.550582 -2.6861854 -0.018955365 3.9078934 -3.554766 -0.4701066 3.1751213 4.4121766 -0.87131643 3.4538798 3.4027553 1.5842842 -0.9618653 -0.14440721 -4.6308684 -4.191188 -0.31576437 -1.7784114 -2.1899168 1.8065115 5.883903 -0.40373302 2.435462 -0.29055828 -0.8882344 0.5497162 2.0863106 -0.31222928 0.84546196 -3.044787 0.28923726 -1.945361 0.46328372 -0.94500726 3.372854 5.507642 4.6479464 -0.008233577 -0.7450624 1.5958818 1.244015 -0.47415033 -0.8665961 3.0924416 2.0630736 7.6767106 -1.1774501 -0.96133775 1.4713668 0.25392312 0.9050444 -0.5906885 3.2636566 0.77934116 0.90119034 0.52043074 1.0568136 -0.6266309 -3.4832046 -4.6861925 -1.830804 -1.3392967 1.0446732 2.0654109 -4.384739 -0.5561129 4.551914 -3.2990184 -2.6003087 -5.870652 -2.161469 1.1191657 -0.31834042 2.8764503 3.2907867 -1.6955297 4.308734 3.7335596 -1.2768767 -3.6314452 -1.4984365 4.7019224 -8.271447 5.9725056 3.2437098 2.9623623 4.8081527 9.223274 -2.0365307 -7.5076003 6.859611 4.8030624 2.6450284 0.8392985 -0.23519428 5.1039853 3.3057034 -3.022388 0.9993768 -3.220029 -0.3486399 5.4864254 -8.021732 -0.83632857 3.970088 -4.916485 2.0006614 2.972602 -1.6339362 -6.7887588 0.7139608 -1.6345352 -1.2662321 3.8336802 2.5712423 2.8544424 -3.850683 -4.346667 -0.77333313 -6.6047883 -3.5213547 3.2966251 -2.2635114 6.9006677 6.189209 -4.951601 1.9085528 1.843489 1.7631673 3.9629698 1.3424218 0.7678623 -3.7515197 6.7734528 3.0814385 -5.116645 -2.8023422 5.348091 2.2517605 -3.0575042 0.19782507 2.8561168 1.1043248 -5.3095307 5.1790805 -1.3794926 1.2603102 3.5593162 2.893589 -1.63057 -1.2686671 -1.0806603 -2.993682 0.511251 0.4975486 -0.6891337 0.76114756 -1.6949979 -6.1880126 0.3753121 2.317193 0.5277322 -0.048958942 0.9068999 0.570172 2.1721816 3.9250393 -3.119816 4.3816977 4.532555 -0.8202271 2.9814024 0.5628356 -4.0945005 1.7792721 0.92661643 -1.3028255 -0.27831706 -2.097776 -5.355699 1.0682912 -7.8525414 0.40415573 4.114593 -2.4544365 0.5514638 -2.7114608 4.234605 4.9221296 -0.5097571 -4.3478966 0.36738172 3.3275702 1.837615 -0.059576113 -0.33150953 1.4097824 1.5934229 -0.43704802 -0.3131439 0.7005855 -2.0111477 -3.4356737 4.084695 0.94893837 -4.270526 2.172554 1.2523767 2.1472716 2.9511483 -2.3273516 -2.159595 -2.3493917 2.873095 -1.3705713 0.32608724 -5.117716 2.5195844 -0.77457255 -2.9008086 0.77878475 -0.072824985 0.355967 -0.27866608 -1.3073974 1.398411 2.5349884 0.13224825 -1.7682518 3.2927268 2.587622 7.2431927 -3.9990242 0.11095778 1.3004854 1.8506442 -1.372112 -4.995921 -4.8689556 -3.3521001 4.0769553 3.5599666 0.6139398 5.286431 -1.8175199 2.3806946 0.19813329 2.5474155 2.3449132 4.8682356 -3.4830163 2.7083306 -4.0927916 1.9754716 4.197902 0.25349283 3.5500672 Acetochlor is a monocarboxylic acid amide that is N-phenylacetamide carrying an ethyl and a methyl group at positions 2 and 6 respectively on the benzene ring while one of the methyl hydrogens as well as the hydrogen attached to the nitrogen atom have been replaced by a chloro and an ethoxymethyl group respectively. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a monocarboxylic acid amide, an organochlorine compound and an aromatic amide. It derives from a N-phenylacetamide. |
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64952 -3.462602 4.841101 -3.1022456 -4.4321556 3.116103 -7.54145 -6.5706096 3.9565728 -2.755784 3.4581544 6.3781767 -4.862775 0.9203151 3.4822428 4.740937 -3.4539678 -0.05323494 -0.24179281 -8.965849 4.3992844 -6.8172655 -2.2786453 -1.6902734 -4.6913743 -0.5381588 -1.836492 0.7141861 5.200985 -3.593492 -5.357603 -0.5891396 -0.4932155 2.0222778 4.779103 -0.054901477 5.8603578 2.9574165 3.4146316 2.0107484 -0.39581752 -1.1897551 2.979506 1.6662076 -0.7670622 -4.5861907 -3.221087 7.463207 -3.575199 -2.5620499 5.4089274 6.051841 1.8462231 5.449019 3.8550231 0.0082270205 -0.44422626 -2.1937191 -0.7818084 -4.922326 -1.9869366 2.6633816 0.25311622 1.6556897 -0.20546612 -5.235059 3.0569108 0.9037787 0.68710893 -0.763525 3.076665 1.2876934 1.0699619 -4.6353397 0.38732314 -4.163536 1.0297982 -6.649585 4.374623 5.962543 7.662146 0.43454507 -3.1258485 1.1167687 2.55162 -1.910075 -1.0789028 -0.61675644 -1.048254 6.5578613 -1.5792065 -3.30193 -5.747002 -1.9460301 3.648503 0.5627547 1.3791296 3.2869759 -1.6024593 -5.6754303 0.8226619 -4.0496554 -1.5526755 -5.6565895 -1.5006083 2.5755415 -0.842229 -1.8304913 -4.725941 1.1064416 4.4017453 -7.7971873 -3.151731 -3.7450578 -3.8259437 4.6361127 -2.9264007 4.3684206 4.7242866 0.44122398 7.788308 2.9041753 -2.9264193 -4.975838 -3.3235993 9.133777 -3.987667 9.856988 3.5701766 0.16996765 3.2203345 5.3426075 1.3238268 -6.6577654 5.2674904 5.572021 0.9525179 -1.8277175 -6.5366 4.6428995 6.3683686 -1.1941152 -1.5211262 0.26734018 3.5632877 8.788584 -7.284089 -3.7471285 3.9489403 -7.6612644 -0.2686215 8.785245 -4.940269 -7.195954 1.3288944 -0.41483474 -3.17651 3.001336 -0.3495468 3.247551 -5.947926 -1.1542146 -1.5256947 -7.7153363 -0.69192594 4.2864976 -4.4217453 8.6377 3.349807 -4.1952825 -3.539893 1.138532 -2.688714 6.753351 -0.8542625 2.9882193 -3.5126674 5.006354 1.8077495 -4.350946 -1.1615827 5.646396 1.3030939 -2.137031 0.8111389 4.175825 2.7805815 -4.9243145 3.2281613 -2.001407 -0.5698274 9.973298 -1.0707394 0.48961172 -2.1160989 -2.8846076 -3.5987813 1.9599226 -0.3908822 0.46386778 -2.5216353 0.450799 -10.432817 2.966108 5.248608 -0.7229419 4.5619645 1.1928604 -0.76573217 7.366532 4.9920607 -2.1552062 7.001256 2.4908297 5.02108 4.185439 4.3632603 -2.3767564 1.9953349 -2.7108588 -1.0296965 1.3927104 -8.444342 -8.839734 -1.3688432 -4.28644 0.7435175 6.3898716 -1.4979364 2.9245381 -0.96163565 -2.616462 9.10935 0.6038756 -3.4264312 -0.82799417 3.099301 -0.6487336 0.27344385 0.2571583 -0.80736434 1.4342421 -3.5715904 -3.2513542 -1.4998585 -0.86937994 -1.007994 6.138801 -1.8150101 -4.380698 0.74716294 2.0893967 5.3326664 6.424192 -1.3486056 -6.756707 0.046867087 3.7671103 -3.380226 0.32946733 -4.4955554 -0.6571095 -2.7724729 -2.9663112 5.0570526 -4.614062 -1.2911458 -2.3280282 3.9860637 1.3927001 3.837648 1.48274 -1.0155663 3.328947 8.071253 10.524096 -5.665839 2.7620156 3.2103288 2.4915175 0.78075504 -7.0237894 -5.029666 -1.1669858 7.0868316 6.1115913 -4.087244 4.904877 -1.8156579 4.4043813 -2.935508 6.482557 -0.916013 5.205264 -3.4510274 0.26185295 -4.6826205 -0.047264546 2.750864 1.9650565 2.2519803 N(4)-acetylsulfadiazine is a sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the drug sulfadiazine. It has a role as a marine xenobiotic metabolite. It is a sulfonamide, a member of acetamides and a member of pyrimidines. |
7048685 2.0411975 5.2495947 2.157677 -2.0071602 -0.1460375 -4.7787585 -0.68369097 2.7269628 0.78659284 2.0094802 3.9613333 -2.2069712 -2.0662389 0.55445766 -0.1020724 -1.5874171 -0.23217496 0.0024292842 -5.1276145 2.307434 -4.2567396 -3.5950255 -3.091995 -2.1896818 -3.361315 0.7974721 0.1905413 1.596385 -1.7304137 -2.5231736 -0.52329654 -1.7706848 -1.328533 1.9049634 3.9110522 2.4902034 0.15950747 3.7169456 -1.2649809 0.15109296 -2.8033931 -0.29486954 -1.2437654 -2.249693 -2.4879167 1.8296441 1.6319273 0.69685125 -1.319914 1.3667064 4.5515924 -0.060357735 2.7069976 1.1696792 3.1694634 -1.541119 0.82875395 0.20867449 -2.8498693 -2.4724457 1.391624 -3.287586 2.5669522 3.0306826 0.9817784 0.37410283 2.2388809 -0.9884895 1.4821756 -0.19703487 0.06478652 2.31768 -2.7570934 0.5985595 -1.3168082 0.3258051 -3.1975048 1.8553572 0.8643449 1.0965041 -1.5098925 -2.4117138 -0.40354168 -0.54038054 0.13162166 -0.87414426 4.296935 3.1904466 4.4378567 -0.1290389 -0.74104124 -0.19045912 0.40525734 -1.2634269 -1.4447682 1.9801741 3.0956502 -0.060978055 1.3637656 0.58092403 3.4443018 1.5563052 -2.6400232 -1.8766341 -2.1298308 -1.5147192 -0.8078408 0.5495045 1.908461 2.263747 -2.9209096 -1.9880799 -1.5184923 -0.24664153 4.1068373 0.5519448 -2.0592186 -0.7458248 2.2874908 1.0664613 4.1743255 0.5588902 -6.468562 0.027268352 1.384536 -3.327978 3.769226 4.4667034 -0.513988 2.598682 2.0602694 0.643776 -3.0507584 2.4554634 4.3272595 0.12780517 2.5840847 -0.095775135 5.659628 0.9666251 -1.1889282 -0.6644367 -0.6290134 2.5034876 5.4962425 -4.6339793 0.42160922 5.436155 -2.5109456 1.3881164 2.594044 1.1827981 -4.6307316 -1.0136567 0.17217821 1.8071588 3.5783796 4.6065354 4.296961 -0.80573344 -2.6387358 1.0064116 -2.7743573 -1.9151053 2.2716427 -1.9978062 4.706194 0.20005345 -3.9258459 1.8223076 2.4852984 3.852338 1.8948815 -2.0808067 -1.564592 -0.8309442 5.466385 3.1935365 1.6851368 -2.8578105 -1.3638475 0.5098525 -2.806601 -0.28340226 0.7195414 -0.19617432 1.3354764 0.17969134 2.041079 1.1285776 1.2403965 4.752279 0.04697582 0.46742263 -1.7490602 0.6374625 2.0097876 0.36830717 -2.0792217 -0.43934494 -2.9837813 -1.1407391 2.852555 3.6101463 2.1415153 0.39461023 -0.4856891 0.38716894 2.0602884 3.0621955 0.26341683 -0.69870025 -0.9916237 -0.5746776 -2.1906471 0.25357297 -0.4884478 1.2615324 4.8547673 -0.7146013 -1.6383523 -0.38124675 -0.47823054 2.7596993 -3.706219 -2.6839406 -0.9132983 1.1032724 -1.2261528 0.359406 -0.03265956 2.762983 -0.4947579 -0.69712865 1.0217593 -1.730136 3.7525697 -1.2137103 -1.8252923 -1.2915301 1.4295673 -0.26216543 0.8669146 -2.6816645 5.352788 0.74938 -1.5185378 0.38695014 0.9348935 1.2098521 1.9684548 0.7614269 0.6609404 0.028461143 0.43629193 -0.7260786 0.9270734 -3.6882572 -0.88112533 0.36175704 0.8075834 -1.1017718 1.682822 -0.99980146 2.333777 -0.9176186 0.3319284 -0.7856436 2.2398925 -2.2952228 0.58098674 1.747509 1.0225683 -2.1969957 4.834355 4.4635177 0.32543087 -4.943431 0.9839085 1.2397159 1.5406274 -1.8131039 -2.2719727 -0.4460579 3.680396 -2.4261622 0.44905964 -0.8145334 1.6653438 0.048292533 3.104914 0.00094889104 3.0618038 -2.612287 1.1387022 -2.9333644 -2.6750557 1.403271 2.3979115 2.722346 Sn-glycerol 1-phosphate(2-) is a glycerol 1-phosphate(2-) that is the dianion of sn-glycerol 1-phosphate arising from deprotonation of both phosphate OH groups. It has a role as an archaeal metabolite. It is a conjugate base of a sn-glycerol 1-phosphate. |
122391266 1.7888782 6.1165633 2.5273674 -9.778294 0.9515466 -7.76445 -5.374666 6.440893 -8.5596695 5.013835 8.111368 -8.116428 2.931898 -1.6044728 -0.34671247 -6.241297 -0.35574973 5.485139 -10.080365 1.1747789 -7.7321873 -4.3698826 -1.1876342 -13.944483 -2.179049 6.6926684 2.0308952 9.651152 -6.1205378 -8.317579 -1.1115692 -7.299664 -0.046584204 5.3036366 6.2652197 6.9482923 -1.8171291 11.866062 -1.3573967 9.62198 -3.0795186 -8.028528 1.160915 -2.6385787 -11.353189 -0.24847946 0.58278406 1.9490004 -3.2324207 6.5338435 10.26684 4.494069 6.4253387 7.0237584 3.6155412 -6.9891996 1.263925 -2.8046184 -1.6718354 -2.313564 -1.2168415 -7.9624667 1.2081025 10.696681 3.667876 3.579173 -0.24200545 -1.5071375 3.4254923 -2.3652723 0.30567235 1.2585113 -6.5187645 4.280774 -3.89977 0.5421622 -2.4484046 5.5337954 2.0918612 4.184576 -6.2089477 -3.5978923 0.82144976 6.873886 1.4933174 -1.3754609 2.8287382 2.3158777 11.430402 -4.851327 2.3086693 3.22961 4.5904326 0.085268855 -0.4571253 -0.6378173 0.77549624 -0.0207007 -0.8246063 5.5441675 3.3581986 3.45352 -6.7820024 -3.1301227 -5.914559 4.0357165 1.4310887 -1.6810751 4.318104 8.558715 -5.9019713 0.7855908 -10.5059395 -1.9589646 2.552732 -2.0202763 0.8925686 4.903538 5.874221 10.311233 10.99213 1.2238104 -5.602133 -0.7038552 8.364231 -16.560045 8.549435 14.327341 1.330626 5.8442135 14.395121 -5.678306 -6.8690953 5.435687 8.161585 -1.8559276 1.6828562 -1.6787704 13.019494 0.59613216 -5.3065624 0.8678055 1.8823458 7.871766 14.162302 -16.744905 -3.3734317 9.068656 -9.951829 1.4759604 5.6555314 -3.3964093 -11.440135 2.7952983 -4.8866825 2.1512039 6.1975083 7.7526827 13.731615 -4.456897 -12.037871 3.0152953 -5.9955688 -9.136754 8.9917345 -2.5315099 9.35985 9.731776 -6.2675943 5.0721602 1.9545393 7.1454625 1.149754 1.8037777 -0.16763797 -3.3395653 14.857836 5.1794825 -14.439186 -13.904235 7.221886 1.5136182 -6.662032 2.4948177 8.632693 4.760996 -6.0593266 2.196532 3.513667 8.797804 6.356241 11.585089 -1.9374042 -3.6847997 -3.5849106 1.373216 3.0801373 6.961742 4.511726 0.34554672 -6.4321237 -5.13665 3.6313365 4.4474764 0.97203356 -6.907191 3.0067084 -0.04756251 4.0767245 2.5549796 -4.3247943 2.6581898 5.619343 -7.3273478 4.1116133 -0.9061449 -9.300934 -2.1701155 6.9986897 -3.9713845 -1.4856975 3.587026 -8.130299 3.2188654 -19.691784 3.2022111 -1.3957622 -0.73499376 -7.161743 5.3534966 0.98432785 5.1476116 -5.0064163 -5.24708 1.0010915 0.72234535 8.848695 -0.95080245 -3.0301106 0.6766827 0.34732747 -3.9566832 0.8288458 -2.519078 2.3847182 0.62369967 2.4988723 -1.5640546 -6.815944 9.562753 7.7768598 3.04998 0.09501721 2.3258498 -1.3216598 -3.1285567 10.185887 -7.6933074 -4.904482 -7.3184595 1.9679348 -6.914069 -3.846883 -1.9624625 1.8303145 0.011598885 0.65758413 -3.4764044 8.947676 -1.6894927 -4.4564357 -3.3676057 3.3061233 7.4176474 5.3802586 6.4547663 -0.97942847 0.52172625 4.0281644 -4.688023 -8.7030735 -2.232663 -5.7617383 1.5464768 10.328029 3.866398 4.0499196 -1.6584802 8.068649 4.676848 11.216049 2.9203238 7.3435774 -1.9731277 3.2402365 -6.601963 5.334057 0.50847775 4.2935615 5.4083443 N-oleoyl-L-phenylalaninate is an N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-phenylalanine. The major species at pH 7.3. It is a N-acyl-L-alpha-amino acid anion, a N-(fatty acyl)-L-alpha-amino acid anion and a N-(fatty acyl)-L-phenylalanine(1-). It is a conjugate base of a N-oleoyl-L-phenylalanine. |
11473 -1.2389339 2.0507874 -2.135749 -0.61612076 0.18779479 -2.7088585 -3.567896 0.9162026 -3.9978411 2.859219 2.1874144 -2.506007 0.6157294 1.3089608 1.7969235 -1.1339116 0.83775747 -0.38876754 -4.1598573 1.5916269 -2.012782 0.3735894 0.21713209 -1.7561103 0.23747393 -1.1576777 -1.0278944 1.6687413 -1.1513124 -3.1580768 -2.1174104 0.07543654 0.42296672 0.8560676 -1.2801518 1.8894644 0.66454107 0.82233995 0.28278422 0.66818655 -1.7195109 1.3599755 0.43011698 -0.08655861 -1.7064029 -1.0193812 3.4905646 -2.3542376 -2.129315 0.4634501 3.2573142 0.56362635 1.0482002 0.8048782 -0.5969881 -0.29118145 -2.3707108 -1.9820724 -2.6490011 0.5182536 1.4703473 -0.08066506 0.28516448 0.21003062 -0.9256921 1.9946591 -0.47324085 0.15248615 -1.1847651 1.6086866 0.36088243 1.1770447 -1.7263775 0.97765 -0.70970374 -1.2364984 -1.2435632 1.0012773 2.3332474 3.192292 1.16976 -2.0827522 -0.103435434 1.0225234 -2.1750877 -1.1058342 1.369167 -0.85915756 2.591015 0.28667852 0.10711655 -2.566374 -0.9804734 0.9969598 0.13923885 0.5139349 -0.0039026588 -1.363182 -2.6787157 0.056606635 -2.1879375 -0.29295298 -2.0058262 -1.0349036 2.1067584 0.13353476 0.66038644 -1.8967685 0.7645817 0.5089911 -1.979086 -1.2600206 -2.4171066 -1.1061517 1.8830537 -1.3659536 1.9838464 0.47314522 -0.8051758 1.9267133 -0.029905295 -1.2143489 -1.8005311 -1.4961276 3.5366728 -1.5512582 0.9204594 2.5159426 1.2525203 0.5219975 2.4587278 -0.20041364 -2.2219133 0.857708 0.5803961 -0.09810552 -1.2839066 -3.8768306 -0.7506086 1.1294641 -1.1953713 0.057070006 0.3361146 1.2363843 5.207231 -1.5473247 -0.8081807 0.5486731 -2.657492 0.14827739 4.5371947 -3.5340786 -3.6558294 0.45937538 -0.17122188 -0.33114222 0.8328465 -0.8630689 0.4173492 -2.7765152 -0.21832828 -0.62864715 -2.1466663 0.0029934505 2.694115 -0.82943904 4.3797903 1.4782704 -1.3581485 -2.3251867 0.020470716 -1.1884094 2.7801788 -0.025194243 2.1802723 -1.7155815 3.0689158 -0.30090258 -3.7034106 -1.076334 3.550957 0.6832364 -2.0902603 -0.7453545 1.3381778 1.6111859 -3.5178492 1.2286074 -0.8632208 -0.54124045 3.7050169 -1.0703989 0.2619188 -1.2462202 -3.3367548 -0.7609887 2.0167313 0.42430207 -0.34201765 -0.82192785 -0.49408486 -5.641724 0.77877223 1.5819063 1.0042483 0.306212 0.8490254 -1.048902 3.4228907 1.3728685 -1.3356378 4.361869 1.4797149 1.0564114 2.520128 0.45254916 -1.3948159 1.4801275 -0.46319968 -1.9827344 0.47185603 -4.2658687 -1.6849905 -1.5834541 -3.3549652 0.93960756 3.5065126 -1.4393373 0.4011284 -1.399782 0.79947823 3.6156101 0.92169046 0.1530217 -1.4777555 0.59394914 -2.7387316 -0.38969648 0.65946496 -0.9350319 0.2709365 -2.7633624 -1.1898711 0.42522058 -1.387631 -1.7081352 2.338947 -0.7939377 -1.8122076 2.3109822 0.26914427 2.723873 1.9562159 -0.3751202 -2.036453 0.4666578 1.3385774 -1.548116 0.29171488 -2.19569 -0.063321814 -1.1841005 -2.8199492 1.053806 -2.8194685 -1.1924164 -1.6968849 1.3658084 0.12562184 2.4421015 0.21014142 -0.82717645 0.9337802 3.872479 3.7560616 -2.5220606 1.522721 3.0160525 0.6370195 -0.21420176 -3.1502986 -4.1025834 -2.032317 2.4708843 2.1998959 -1.1174234 3.3170004 -0.32961315 1.365327 0.4570764 0.74068534 0.29588598 2.203478 -0.84433705 1.4787457 -0.6938978 0.83196086 1.4366912 0.89113355 1.4115181 Nitrosobenzene is a nitroso compound that is the nitroso derivative of benzene; a diamagnetic hybrid of singlet O2 and azobenzene. It has a role as a xenobiotic metabolite. It is a nitroso compound and a member of benzenes. It derives from a benzene. |
25062237 -5.5824594 11.302858 6.876 -1.468416 0.9938554 -33.524597 4.1485705 -0.7764474 20.022263 8.05188 -0.2998422 -8.558341 -15.70232 9.421262 8.47485 -5.1053863 8.930359 -15.493696 -39.285656 18.958757 -9.641369 -25.689028 -19.353603 -8.825173 -14.230656 3.3553843 5.2999883 10.438486 2.4430616 -10.458373 4.3680916 -3.697903 5.274326 15.001357 27.740099 0.75213385 -9.148841 17.307112 4.8090363 0.6090658 -18.022678 7.2710185 -3.038358 1.9864678 -5.4703403 0.18139541 -1.5751383 12.802233 -2.2049978 35.624523 12.421993 -5.3747582 17.453066 3.522725 25.891668 -0.2509977 -6.4407077 17.051897 -6.27687 -4.5341997 8.04554 -12.289748 2.598521 8.941622 -11.062257 0.41410387 8.243874 6.639098 -1.4093617 -12.363651 1.633956 8.024542 -18.180874 6.7722063 -0.5045198 -11.498264 -29.15113 18.289906 -0.99054044 3.7315986 -16.33878 -12.551798 -9.903565 5.1683354 9.926214 -4.307495 15.436529 4.798204 14.097845 -5.2771587 -2.1499417 0.13006659 -0.63939834 7.1121235 -3.4178405 -8.127689 14.911154 5.002613 -0.39479405 -6.181138 16.644958 -1.1919348 -23.697798 -1.2209198 14.852802 6.436999 -2.9933157 2.658229 3.1660786 9.153074 -12.943953 10.378623 6.0688334 -3.3895628 24.514051 -16.500702 -7.1835456 9.561254 17.036816 14.318565 15.520209 5.8688073 -19.216436 -6.223797 12.008951 -32.33938 27.827345 14.070245 -20.547468 14.13608 0.34318715 8.332393 -21.964573 28.927496 35.41443 7.169257 8.213332 -6.016853 28.079302 23.212618 -13.9551935 -0.53952885 6.4842257 8.382827 37.60198 -14.115624 -13.037454 27.972681 -21.658733 3.5279906 14.354605 7.09743 -16.834854 7.286539 0.79277194 8.97216 31.403217 17.389204 34.156876 -7.319839 -31.80801 1.1826895 -15.699884 -1.4741195 10.22977 -4.8446927 46.864586 13.329989 -19.542261 0.124386445 13.283197 19.024502 14.645462 -3.732779 -5.6909056 0.36957902 23.494816 22.794676 -5.696312 -4.099269 -17.709307 3.8477545 -16.553732 0.9227355 1.8388081 -5.9885798 4.705221 -13.563893 6.364881 -1.2320083 11.806095 8.893986 4.4298124 11.249692 1.119205 12.636514 3.4893987 1.9937309 3.8572776 4.2139163 1.1003789 -3.1070077 9.168274 22.917881 8.574263 -1.8503276 -3.0833635 1.1733558 -0.5667803 13.520244 3.4052477 -4.3624926 -12.32272 -6.4773374 -8.497205 14.45483 -4.521648 0.054447606 8.693612 -9.870747 -3.662304 -0.35668966 -2.1811614 16.729517 -7.3579354 -15.829239 -16.130913 6.1849422 6.8406796 9.225091 -0.38253707 4.2336564 3.7068605 2.378965 -3.7902424 2.678355 17.545013 -1.6810175 -23.816969 -10.445312 -4.9159994 -1.5343356 -0.5519298 -4.980138 13.908827 4.0464816 2.8941498 -11.730458 -5.084563 -3.0555186 6.262227 5.8323417 -10.82342 9.414153 10.556961 13.557177 0.4701609 -24.60751 -10.691962 6.051755 -11.385061 -11.841109 4.2964354 -2.4810395 3.3238933 -6.974317 11.876934 10.357904 17.883583 -4.3579626 1.9824741 1.0311776 2.6315718 2.345749 25.799124 23.696533 -3.1157014 -11.488999 12.714475 11.489837 -0.07719922 -4.0228615 4.489127 0.6425847 17.108912 -15.597914 -9.610059 -5.986718 20.759493 5.850939 10.004804 -10.626758 29.53735 -2.9179144 7.5168347 -26.384369 -4.419102 -5.9235044 14.763871 6.8863115 Beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc is beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-GlcpNAc in which the configuration of the anomeric centre of the reducing-end N-acetylglucosamine residue is beta. It has a role as an epitope. |
92136129 -1.797974 2.632629 -0.5730394 0.7466557 -0.49699435 -8.069831 -0.40839523 1.5093459 4.015459 2.7714972 1.8684822 -3.685327 -3.5173285 4.188963 1.9926246 -2.645289 1.3641237 -2.2502084 -10.516229 3.990672 -4.209762 -6.594182 -3.6845794 -1.9862908 -3.1509213 0.7420205 1.6019363 3.0965745 -1.608669 -2.1525655 -0.43867227 -2.1929862 1.3838506 5.365625 5.250155 1.5626839 -1.6730989 3.2612703 -1.1125758 -0.33500147 -4.095635 0.83085126 1.2384988 1.5679249 -2.8643112 -0.37910488 2.4051416 0.5126704 -2.396515 7.2542048 3.5979693 0.29112804 5.238256 1.8333448 2.9675064 1.8627414 -3.347892 2.353485 -1.7002784 -1.2787671 2.835726 -2.1859722 -0.73288625 0.89299667 -3.600012 0.38916573 3.0550222 3.7899194 0.30651715 -2.6775978 0.9182134 -0.031904906 -2.255759 0.7011627 0.20457503 -3.8482072 -5.8184457 6.4185834 2.4666898 3.3146703 -0.7667546 -3.9000542 -1.3658476 1.3202951 0.662494 -1.3240297 1.2147678 1.3072722 4.5452724 -1.0946879 0.30960068 -0.31508145 -2.3414168 1.6508036 -1.6718575 0.22477947 5.901231 0.8289732 -1.1427684 -0.45949447 0.22166625 -0.26975885 -6.8336954 0.9677533 3.8805661 0.7459383 -0.89457685 -0.32742822 1.1389865 0.6936879 -6.500771 1.5367813 1.8502129 -2.463657 5.804768 -1.9872849 -0.6179667 0.85634613 2.4612157 6.007952 5.0299754 -0.3130689 -6.367884 -4.4369116 2.7456334 -5.9722447 7.004462 1.9141533 -3.0050886 4.0351353 1.8336052 1.0423634 -3.219503 4.563673 7.8401604 1.1928189 5.4859195 -2.0070176 5.019754 5.6186585 -2.9472623 0.046511352 1.0399718 1.2857344 9.041304 -1.0847565 -4.0607824 6.014319 -3.467141 -1.0737644 5.0485573 -1.1243588 -4.038543 -0.19654918 0.16953412 0.7676932 7.3749375 0.89672935 5.091557 -1.7162029 -5.1005588 1.2473248 -4.352941 0.5717996 2.1538978 -2.1414955 9.811466 2.1322086 -5.4584436 -2.2630107 3.670668 4.304993 4.555553 -1.0925746 -1.4725015 0.5796517 5.1149282 5.7633743 -0.22808996 0.8140008 -3.350949 2.8173006 -5.13644 -0.252279 0.31636742 -0.540303 2.1345243 -1.028384 2.0746207 -0.552239 3.2807593 3.8540885 2.2792099 3.1285906 -0.9586533 1.375644 2.9484692 0.8230347 -0.4256067 0.24666964 -1.4849899 -4.5484405 3.4981985 6.8298407 1.8614804 1.6851202 -0.54387057 -0.31558207 1.9645126 4.4257154 0.30644408 -0.19809432 -2.163516 -1.1227971 -0.75311863 1.8025836 -0.4480093 -0.8491914 -0.068367764 -2.757517 -1.4082296 -3.068097 -2.5945897 3.780686 -1.0150726 -5.7985353 -2.0150378 1.279485 1.6232547 0.255045 0.8937084 2.5113285 1.7894112 2.8657005 -1.069993 -0.5772415 4.111859 -0.12441106 -3.8233576 -2.6702795 -2.1394122 -3.3618078 -3.1892579 -0.025919352 2.7104707 1.1162392 2.6250207 -2.0207348 -1.961543 -2.2147236 2.5400753 3.021523 -1.6000102 2.9856255 -0.3436657 2.3616393 0.9624205 -5.116642 -1.939715 0.7368693 -1.3155926 -2.7757745 1.2791996 1.1616405 -0.59569955 -2.332171 2.359872 1.8950953 2.5841289 2.1533623 1.5922878 -1.1429033 0.3458017 3.4765043 6.8118877 4.366755 1.2835548 -1.8069245 3.385944 0.76561576 -3.017292 -2.2215524 -0.85072994 2.5329113 7.212017 -5.1178746 -1.2116767 -1.4973096 6.5569763 2.6874459 3.6269073 -3.7154064 8.232904 -0.73813707 0.5069184 -6.3395133 0.32606193 -1.7697845 3.6382613 2.844945 6-deoxy-6-sulfoglucono-1,5-lactone(1-) is an organosulfonate oxoanion that is the conjugate base of 6-deoxy-6-sulfoglucono-1,5-lactone, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is a conjugate base of a 6-deoxy-6-sulfoglucono-1,5-lactone. |
64947 -1.3341652 3.249225 2.1375716 -0.07988765 -0.24241231 -8.705336 0.07320753 -1.5467725 5.3608723 1.6396704 -0.29666543 -2.8730762 -4.3265405 5.155481 2.5857933 -0.72800034 2.6208365 -3.4517872 -10.992644 5.606243 -2.034308 -6.026935 -4.176944 -1.9265295 -4.745138 0.69086057 0.2822212 3.0272334 0.871081 -2.4450867 1.3189209 -0.5769953 1.583618 4.647425 7.9812574 0.11233152 -2.4140809 3.9887528 0.9363411 -0.507857 -4.86066 2.2037163 -1.0239186 0.2506293 -0.72005725 -0.5608827 0.07442978 2.2202957 0.20761591 9.223847 2.8705785 -1.9029102 3.8944707 -0.11995566 5.8725963 0.61153233 -1.7295427 3.5641453 -1.8070879 -1.2792839 1.3690997 -3.5514905 0.15875295 2.9888794 -2.2053525 -1.1643472 1.281226 2.1511827 -0.5542448 -3.544135 -0.1111165 2.2869322 -3.45769 1.9897847 0.6767084 -2.8351445 -6.764659 5.5893407 -1.2176973 1.3840185 -3.33316 -3.3085399 -2.2889087 1.0958015 2.0496528 -0.9080312 3.895532 0.15891764 3.5614192 -1.6384801 -0.6182404 -0.09821656 0.3787108 0.99752265 0.21420512 -1.5744565 3.58723 2.4463375 0.54412043 -1.9723709 3.689476 -0.6050929 -5.778342 -0.27484697 3.9255917 2.5843344 0.22475207 0.19343239 0.6331066 1.6266905 -3.0071664 2.093914 1.7994742 -1.5009829 6.614295 -4.2408257 -1.5491526 2.1186585 4.3859973 2.61817 4.2734094 1.318943 -5.1520486 -1.219467 2.1577983 -8.5102825 6.4084163 2.7947204 -5.962999 3.853635 -0.13195972 1.9055344 -5.0073934 6.4828563 9.248037 2.1117964 3.0261197 -0.6343456 6.5619683 6.140825 -4.1067295 0.40059128 1.2340649 0.855967 9.524846 -3.2087536 -3.9941163 6.655889 -5.705455 1.4636887 4.1698546 1.5227588 -4.712909 2.0037262 -0.44187832 3.2262976 7.4434905 4.0329857 8.296943 -2.4079518 -7.8516154 0.7480031 -3.0160577 -0.6667034 2.8489835 -1.3851821 12.540354 3.5418766 -4.443848 0.21314575 4.022261 5.295239 3.4808187 -0.8526396 -1.3008108 0.55297637 5.297194 5.414148 -1.1155307 -0.39434373 -4.5202494 0.91064936 -4.1392803 -0.17726526 0.9488101 -2.3438835 1.5467257 -3.2078524 1.1515055 -0.31716213 2.6368594 2.114088 0.9977462 2.5404537 0.4340817 3.4623888 0.968558 -0.096586555 1.1243756 0.8790165 0.8273907 0.004355386 2.645255 5.886936 2.2759125 -0.38609233 -1.28725 0.78953683 0.37784857 3.9527688 0.8152691 -0.7939192 -3.7853515 -2.0913286 -2.564019 3.1150808 -1.015782 1.3789378 2.3437946 -3.0501378 -0.72142386 -1.5923808 0.20082527 4.277354 -1.3618851 -4.4013567 -3.872777 0.90500194 2.2926154 1.1783838 0.82742727 1.2352723 1.1402346 1.0181706 -1.0716503 0.46841708 4.6519737 -0.10961771 -5.806106 -2.6512372 -2.2115302 -1.1795254 -0.96716356 -0.49057496 3.5823889 1.3951497 0.45825252 -2.6631749 -0.8278791 -1.2671493 1.1988764 1.2807207 -2.556496 2.1980069 3.6193526 4.114866 -0.27050883 -6.173669 -2.9234798 1.6024144 -3.9220479 -2.1743681 0.7389389 0.34939337 0.7975466 -1.8286669 3.0920057 1.5487703 3.4029062 -0.38598636 0.3811521 -0.23326553 0.2094061 0.3564526 6.5930953 6.006843 0.06806883 -2.5967689 2.992536 2.5762608 -0.18443796 -1.2472131 -0.18073335 0.33178398 4.30651 -3.7363775 -2.2192202 -1.8353658 5.0467353 1.5022544 1.4679961 -2.2334535 8.014157 -1.1711295 1.5878133 -6.007131 -1.1363554 -1.6305254 3.3266022 2.6195717 Methyl alpha-D-glucopyranoside is an alpha-D-glucopyranoside having a methyl substituent at the anomeric position. It is an alpha-D-glucoside and a methyl D-glucoside. |
51040682 4.8425326 9.356694 -1.0937911 -6.443278 -14.252151 -14.740394 -10.120957 -2.0450628 3.5549579 14.163762 14.7273035 -8.081917 2.2898452 11.17078 4.3335094 -3.5014741 21.107775 -3.4798918 -22.260601 6.6507673 0.35943574 -19.18221 -9.167537 -5.0983562 -14.633 -4.5279794 4.8200216 26.387646 -4.505078 -12.331875 1.2872651 -4.0056386 -2.917664 13.5305605 16.171019 2.9595346 0.013027251 11.722013 -1.2829335 1.188857 -4.752468 12.78226 12.885769 -12.590479 -3.1357322 -12.985377 2.374567 -1.9999074 -1.6268505 11.89145 17.183458 -8.173561 10.352913 4.0277023 8.209403 11.984796 -7.451963 3.4608397 -4.6350093 -2.7725723 8.946582 -11.658919 -5.9499645 25.087677 -7.934137 0.74346036 11.677421 5.0609837 10.50078 -0.0018426478 -6.544313 7.492368 -16.79084 4.16511 2.80628 -3.6791942 -18.130424 20.859068 7.1959524 13.422161 -6.4697475 -3.8655057 0.70588744 13.99982 4.177981 -9.835986 3.8032603 -5.724821 21.496567 -6.295017 0.07917884 -2.3017054 -0.61903083 8.606329 -5.0828986 6.259214 9.990776 7.031377 -2.640328 -6.806136 5.4113007 -16.138805 -13.627173 -3.3401418 6.3795795 8.004892 -6.8932285 -18.760551 -1.6655549 13.337608 -8.540729 1.5964342 -8.240281 -7.0873523 12.734816 -5.556638 -0.7608459 2.590621 7.027015 12.150174 2.6934028 0.8971121 -2.2019153 -5.7338386 11.43273 -23.582869 20.298807 7.634705 -2.3943672 17.402063 5.826133 0.2247137 -18.036762 14.005774 18.749884 6.511234 2.4818165 4.732171 19.239876 16.859966 -9.260183 -3.520815 -5.9293184 5.868021 14.333596 -23.35949 -8.330797 9.62416 -12.553079 -2.2709768 -2.8732693 -1.1854548 -20.798412 8.187487 8.042934 -0.50967413 8.437491 10.654307 16.551273 -12.860069 -16.250637 7.2233653 -5.3033986 -9.908632 -9.468086 0.6054982 26.20722 16.098978 -22.541391 -5.667594 6.0806785 18.001709 5.245245 7.5560455 -6.6633973 -7.8958406 9.563517 19.716707 -5.172873 1.3143792 -1.7875468 1.5725607 -19.469013 -2.1218245 2.8389325 -3.1282299 -15.67309 7.3457127 3.6791546 2.7242436 10.148433 7.3022404 7.6390142 -5.6381936 8.797291 -0.17754003 21.816914 -2.105558 2.7088892 8.411077 -4.388171 -2.831645 6.2956033 18.535608 2.206422 3.1326 9.707791 1.846179 10.204222 11.560097 2.8333244 -2.2978435 -3.719264 -15.432811 5.0181828 7.0659246 -2.7575603 -1.1257002 7.90829 7.793102 6.245462 -7.0808244 -9.973526 4.279771 -10.220542 -7.2822194 0.7950566 6.242894 2.5965962 8.694111 9.270075 9.956905 2.8218496 -6.127435 1.1443163 6.1179056 3.2933133 -2.276069 -10.569627 -14.807785 -3.7699723 5.1821413 -8.250534 0.4454284 -5.710708 -6.3314795 -3.0640304 4.5943356 -9.6638775 -7.0490537 6.707878 7.034027 -6.8691993 -1.0413662 -1.799304 9.698184 1.9212043 -6.7018485 3.148826 2.0070696 -8.225227 -3.641278 -5.213158 -3.3467612 -7.475495 -2.3460567 -1.7416215 1.8443154 6.9523864 -2.9214158 0.35926896 -10.198189 0.35699344 18.0063 11.428854 -3.8833878 -5.6336856 5.52244 -0.9075503 -3.5740554 -27.472633 -1.6158795 -8.289585 7.218123 3.7194703 -8.416314 -7.0767384 -3.314377 17.837574 5.6944 13.970439 -1.2234536 25.165514 1.1222198 -5.4922523 -24.969183 4.928559 -1.5978042 4.450676 16.119263 1,30-diacetyltrichagmalin F is a limonoid that is the 1,30-diacetyl derivative of trichagmalin F. It has been isolated from Trichilia connaroides. It has a role as a plant metabolite. It is a delta-lactone, a bridged compound, a member of furans, a limonoid, an organic heteropentacyclic compound, a methyl ester, a tertiary alcohol, a secondary alcohol and an acetate ester. It derives from a 2-hydroxyisobutyric acid, a tiglic acid and a trichagmalin F. |
91972221 -4.2678437 12.063888 7.2908363 -0.77311504 1.1543679 -33.240547 3.673171 -0.90713364 20.20894 7.229977 -1.1802446 -8.892623 -16.155354 11.5624275 8.57623 -4.858747 8.86013 -14.330214 -39.568886 18.779612 -9.2932825 -24.136408 -18.463928 -8.3810005 -14.873396 3.8199677 4.0787225 9.825499 2.6495965 -9.279811 3.903108 -2.8746982 5.2779922 14.451322 28.222237 -0.29143614 -8.813288 16.569016 4.107551 0.054356672 -18.743614 6.0326285 -3.3705037 2.123704 -4.881391 0.72470164 -1.6059247 12.21055 -1.8656865 34.750412 11.527848 -5.141835 16.617722 2.1667435 24.741076 0.3018791 -6.6762857 15.891828 -6.2767215 -3.921891 7.053385 -12.3516035 1.4869891 8.966156 -9.844829 -0.6924182 6.8569965 7.0247126 -2.0674648 -12.920895 1.3557428 7.919029 -15.544535 7.2602205 0.49499115 -11.131505 -27.283438 18.784737 -1.8528385 3.3943987 -14.093794 -12.024116 -8.909778 4.4515395 8.773001 -3.0805047 15.611397 4.6100173 12.811442 -5.7149906 -1.438466 -0.8709547 -0.96704197 5.013565 -2.3771372 -8.744706 13.967676 5.5607476 -0.1726784 -5.96948 15.67663 -1.0259122 -22.8587 -0.7426903 15.38956 7.1153746 -1.4485497 3.6342707 3.2525873 7.2883525 -11.908545 10.621472 7.5755506 -3.980059 24.17761 -16.081558 -7.587588 8.282997 17.03631 13.59664 15.849509 5.631131 -19.751186 -5.974924 10.351327 -31.863796 25.869993 13.11026 -20.513649 13.114322 -0.3128208 7.029053 -19.587711 26.69689 35.196636 7.697976 9.089102 -5.718224 25.246048 22.367516 -14.280997 0.17155331 7.118193 7.1338863 36.644188 -11.90306 -13.296536 26.45491 -21.079193 4.065207 15.26281 6.8750253 -15.92953 6.204955 -0.10182127 10.037412 30.579487 16.646374 32.39181 -7.0406017 -29.882574 1.7035725 -14.258767 -1.0766202 9.801427 -4.3053575 46.693516 12.017165 -17.460888 -0.25010526 12.876538 18.354204 13.839844 -4.495585 -5.404446 1.4930708 21.097767 20.429619 -4.816025 -2.6725872 -18.057722 3.902948 -16.226309 0.19172795 1.8087102 -6.478626 6.005488 -14.068392 5.754754 -1.8744793 10.905268 8.811628 3.6938727 11.494828 0.9886379 12.937095 2.865593 1.7599858 3.3722503 3.829302 2.20296 -2.2968013 9.141596 21.928215 9.1088295 -1.7703947 -4.321014 1.0685027 -0.53017116 13.754018 3.594771 -3.9065087 -13.005642 -6.611398 -8.879056 13.567213 -3.7565732 0.6944538 8.374342 -10.873444 -4.119495 -2.3288622 -0.69250363 16.189568 -6.57964 -16.439222 -15.899363 4.854542 7.9633503 7.631824 0.49105918 4.1696587 4.9004483 3.3711977 -4.3945813 1.9483654 18.36044 -1.3175073 -22.879372 -10.028924 -5.9869037 -2.8359468 -1.1763093 -3.5604217 14.142032 4.503389 2.3890169 -11.626364 -4.349698 -3.2123506 5.632662 5.5077667 -11.244476 9.204592 11.661603 13.932433 -0.13073286 -24.546701 -11.252883 6.318316 -12.197142 -11.032271 4.7758737 -1.5787055 3.2418575 -7.191827 12.074114 8.869688 16.299911 -3.1848638 1.867265 1.4322642 1.5449557 1.4407021 25.639688 24.06691 -2.1745238 -11.43424 11.990638 10.71467 1.3855643 -5.1482124 3.3569994 -0.019419506 16.6618 -14.989324 -9.929455 -6.8718596 20.31463 6.11651 7.6466317 -9.433798 28.774986 -2.185386 7.5566397 -24.339281 -3.6749692 -6.255838 13.952485 6.4157157 Alpha-D-Galp-(1->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp is an amino tetrasaccharide comprising alpha-D-galactose, beta-D-galactose, N-acetyl-beta-D-glucosamine and (at the reducing end) alpha-D-mannose residues linked sequentially (1->3), (1->3) and (1->2). It is a glucosamine oligosaccharide and an amino tetrasaccharide. |
50200 0.2563542 5.48191 -5.114401 -4.3136024 -4.7001023 -7.145452 -4.9031334 2.5440896 1.1526892 1.0019867 10.950382 -10.62587 2.4116216 16.954756 7.236796 -2.4344442 10.327441 -0.70790964 -16.390257 3.3694286 -0.831856 -9.5114355 -0.7014048 -5.383212 -2.567209 -2.1722217 1.6500796 16.198792 -2.3769932 -4.9610662 2.0896194 -3.82837 6.272095 7.049883 6.196923 8.39758 2.9871035 3.576057 2.8448858 -1.7649521 1.1823288 1.4239058 -1.1865153 -12.408866 2.5892818 -2.3298304 8.4086485 -6.8028073 4.9713874 5.811265 7.147159 -3.1976323 5.2346463 8.152359 1.5029138 3.9963903 -8.068978 -4.896098 -2.798448 -3.775305 -0.18995926 -3.0355997 -2.5646143 5.1885343 -3.3974884 -0.48406005 4.1223226 5.0850163 0.63439584 3.3073056 6.042464 -1.9509789 -4.6699657 -1.4541557 -2.5490077 -4.937685 -10.742451 11.527062 13.044065 9.718488 -1.7811692 -6.0389533 -0.11867285 2.6040924 1.7408566 -3.549934 -3.686602 -6.372842 10.534008 -3.625502 -5.2707644 -3.2106225 2.8618913 0.37782595 0.05307375 4.400032 5.0909834 2.6098773 -3.2785234 -1.8003943 3.0979004 -13.614695 -10.388747 -3.0685294 1.2212976 2.818926 -0.4501445 -4.8741484 5.446808 -2.4865065 -4.351937 0.20014627 -5.9959784 -3.4645364 5.5941553 -4.0413713 0.7811624 0.05999136 3.6469817 9.697696 5.7259765 1.0624684 -1.1720688 -2.7700605 7.923484 -11.871703 10.970024 3.1346836 -6.8631163 4.620551 3.4732785 1.3477845 -13.746088 2.4732401 12.113583 5.327978 -0.9170359 -1.6585622 8.980232 12.320502 -3.9798646 -3.5494056 -6.398964 6.846436 9.389477 -11.871488 -3.2202713 3.0833616 -8.685306 -1.5866702 4.3499045 -2.4416492 -21.348545 4.961671 -0.90722775 0.64625645 7.2677817 2.9150095 1.9327545 -8.747211 -7.559226 4.586252 -0.6650767 -6.7589746 8.496254 -2.7088227 10.242464 10.785939 -5.540297 -5.632336 -0.72494996 7.0221562 6.965421 -2.0237987 -2.0271497 -1.798194 6.151058 5.361068 -2.1852503 1.8284864 3.5110805 -2.4822552 -10.631143 -5.8917546 2.3218818 -4.330693 -11.090788 4.123688 1.6829472 1.5890626 4.7648344 2.9220245 2.689255 0.04300058 -3.9170558 -1.4690189 5.0365696 -7.280276 0.6636987 0.67483836 0.6721426 -6.799881 2.521838 5.785881 -1.7720369 -0.39868313 0.16272447 -4.8942647 7.66163 2.2858052 -2.662118 7.3477206 1.8975614 -3.8621743 3.3216317 -0.49379444 2.625717 3.799499 1.4234443 -1.5251871 2.8228486 -3.8974202 -7.9352674 1.8217709 -6.679463 -1.1501966 7.3820834 -4.295928 2.9465744 -4.0438833 7.181091 9.890253 2.7570229 -4.35483 0.032373466 -0.58073217 -3.8552072 -1.4907733 -2.2065067 -5.049798 -0.119981594 -5.1337852 -5.7292056 -1.406663 2.1683743 -0.62847376 3.1268055 1.8398769 -4.0565557 1.3087636 0.7649883 7.90038 5.484177 0.8729877 -2.6668346 -3.0873406 4.7154155 -4.9441133 1.719115 -7.310362 -0.3833534 -9.687388 -4.61458 1.4893007 -8.792464 4.509625 2.0450356 3.0510135 1.2940398 3.9603536 3.5701644 -4.6119566 3.7464533 11.746923 5.492346 -3.4742436 5.5262785 9.115099 2.774424 -1.8854778 -17.649805 -1.5992463 -8.77874 8.321699 7.0483723 -7.2816386 1.5104277 1.6242268 8.548564 1.672101 2.7412643 1.6664027 8.628007 -3.3658922 0.6793439 -7.559247 2.1133504 0.2467319 2.431647 4.737995 Mollicellin C is a member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at positions 3 and 9, a methoxy group at position 8, methyl groups at positions 1 and 6, a 3-methylbut-2-enoyl group at position 7, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense, it exhibits antimalarial and cytotoxic activities. It has a role as an antimalarial, an antineoplastic agent and a Chaetomium metabolite. It is an aldehyde, an aromatic ether, a member of depsidones, an enone, an organic heterotricyclic compound, a polyphenol and an aromatic ketone. |
132282534 6.2209244 8.843934 2.5182285 -6.780084 -4.0552783 -6.6903896 -7.5687423 1.2000066 -12.304243 9.524486 16.504725 -6.058024 7.256616 1.9738765 2.4047709 -5.7507687 7.287221 6.136039 -12.704872 4.1357903 -0.9596137 -3.165636 -0.3641584 -9.392037 -6.901662 5.1548276 5.205247 13.671362 -5.136776 -7.732991 -1.9598198 -6.967313 -4.672338 4.6879487 15.983642 8.138579 1.4777677 8.221038 1.457466 7.249013 2.6319985 -8.823772 -1.3866976 -1.1292882 -7.6698527 5.1445084 -0.008124478 0.37689644 -4.7862554 1.963511 10.221308 6.440722 6.9318447 6.966402 1.8814825 -4.6490893 -2.9735508 0.9047962 0.8805026 -4.3720393 1.350912 -7.847316 -2.5765204 11.116549 2.1191616 1.7825708 3.5739 0.5193611 6.5840893 -12.557178 7.1329455 -1.274326 -5.558864 -0.59647465 -2.2402742 2.9121401 -5.5864305 8.387642 4.7191663 4.1303043 -3.582986 0.24796638 2.2249308 11.960161 2.882287 -0.99662596 -5.271511 -1.1131831 9.423026 -8.042182 2.590278 3.90183 8.699082 -1.8364427 -4.207526 -0.35557067 -1.1518636 0.4606419 -0.9067121 3.015841 4.7177124 -0.5638467 -6.006925 -1.8913583 -8.329114 6.1411257 -1.4298466 -0.6893974 5.28669 6.7842984 -4.6191072 -0.09597339 -13.432653 -6.428864 -1.1219206 2.800886 -8.576098 8.941624 6.6231146 9.659672 15.190231 -2.3472688 6.8301177 0.5872382 10.6578045 -19.91785 10.548666 13.975909 -5.667843 11.031208 9.885965 -8.487451 -5.822462 3.046843 8.194399 -4.6638827 3.8880284 -1.4024138 12.8272505 5.9475255 -0.99845445 0.25953588 3.8141217 5.6997766 8.630084 -16.483042 -3.9268923 9.690331 -6.29426 -2.558592 -2.8681717 -2.2242024 -10.95803 1.4505565 -0.36156613 -0.33916876 -1.589232 8.099021 14.408307 -3.7838607 -12.697803 8.416541 0.69175065 -5.2776523 10.54777 -0.24757066 1.3527858 12.31045 -4.225532 5.07976 -1.6080213 8.548163 -0.48795846 5.407921 -0.2830338 3.2740066 11.843484 2.8839078 -4.69805 -3.8453407 3.0179071 2.6006546 -6.2636094 -0.69723535 6.783806 1.2771575 -6.722895 -1.2038678 2.4508975 6.8822656 3.2532527 11.496766 2.6815608 -2.39773 3.271835 7.6772895 9.445892 3.1123335 6.484145 2.8849616 0.6208708 2.3660026 2.21034 -0.28321588 2.875269 -5.581832 2.0981288 -6.4332542 4.7525754 -3.356523 -3.8050241 3.8737023 9.238541 -9.318712 6.7237105 -5.3678036 1.8401768 -9.988258 5.3415604 -3.3935618 -3.138554 12.088917 -7.8464675 3.7169867 -15.929194 6.5389 -7.848132 -1.9033952 -5.039581 4.7818885 6.1171584 2.431441 -0.2336919 -6.2001414 3.6312408 -0.717532 8.907774 -5.7972283 -8.369343 -8.530183 -3.001068 -1.2716463 0.9458588 -3.619352 -1.1377473 5.3542886 -3.6205418 2.2820883 -4.6818085 12.695435 10.138741 3.1759055 -1.4604464 1.6073472 4.1157856 -6.367161 11.725189 -1.1784431 -9.461041 -7.9590845 6.1536937 -6.3939333 -4.9907722 -4.653717 0.49319956 3.7741847 9.497992 -3.113056 9.296778 -2.9422202 -6.095588 -1.6953422 1.9912832 4.179963 -3.4312296 12.518172 0.7732913 4.102003 6.7758512 -5.4116554 -9.273021 9.513987 -4.634369 2.651842 6.697563 9.036192 2.263185 -4.9700317 7.034396 8.179872 5.9486537 2.6974156 3.3954477 -0.8936776 3.623144 0.14773567 1.5778476 2.3016212 2.0026302 2.1055446 (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoate is an oxodocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid. |
89516 2.1151109 3.4330873 -2.2513728 -1.3872019 -1.0878043 -0.939675 -3.6229446 0.9802109 -1.6362635 2.034647 3.5011988 -2.7932405 -0.16812986 7.36879 1.5514979 0.32325295 4.250687 -0.010273337 -4.1903653 2.8206897 -2.3825846 -1.2002236 -1.8209598 -1.5734657 -0.4157291 0.62232614 -0.65822923 5.8784018 0.13132668 -2.2331495 0.8745438 0.1454826 0.9684551 2.81181 2.8963535 0.9199213 0.83005583 1.5215838 -1.3339577 -0.76248133 -2.2406402 2.0835588 3.985093 -2.6875005 -0.21087381 -1.9781524 3.3698041 -1.8243307 0.026149169 2.2761462 2.7575119 -1.3784401 1.121666 0.5565697 -0.803215 1.1342478 -1.474821 -1.2186939 -2.5128884 0.8499131 -0.1469771 -0.10606399 -1.4413995 1.784702 -1.0534666 0.47405833 -0.8833744 2.5499072 0.18327272 -0.45932359 -0.6632893 1.837643 -1.1261133 -1.341116 1.1448854 -1.8897531 -2.4046335 4.613284 3.9623466 3.1717129 -0.47517177 -1.3535451 1.0313973 2.5355396 0.44576627 -2.723348 1.434488 -3.6958199 5.6879034 -2.9935532 -0.1613845 -2.2235937 -1.2292484 0.65972775 -0.7534267 3.0304606 -1.0714163 0.9148861 -2.0477257 -0.41604194 -0.3597126 -5.72019 -3.845522 -0.45877784 3.450472 0.9847298 -1.7738113 -3.740973 -0.64894664 1.856685 -2.3191364 -0.9208406 0.03684249 -1.8758717 4.108133 -3.5614662 2.2998416 0.45066953 1.5097302 3.2382274 0.18640633 1.3697164 -1.9779863 -0.92557466 4.7185125 -5.0411506 3.9957323 1.5375266 -0.5345123 2.810589 2.7278755 1.6079031 -6.188588 1.7531128 4.427688 2.0267062 1.0524354 -0.20821199 1.7137725 4.539794 -1.44034 -0.69995844 -1.1833801 2.4199526 2.3897543 -1.8842473 -1.8202623 2.563263 -3.0730357 1.4613935 1.0941583 -1.620074 -6.401351 1.1864682 -0.7049092 -1.6772714 2.3016644 0.57314736 0.53229064 -4.3912477 -1.7371514 -0.02796857 -3.8743017 -1.4936309 -0.5321169 -1.6102225 3.615093 2.7229319 -1.1940842 -1.6029613 -1.6612594 0.17977476 2.3170831 -0.2222665 -0.55513024 -2.0304503 -0.10888827 2.2974665 -1.589761 1.1561824 2.943411 0.8247447 -2.6568954 -0.02666863 1.8532981 -1.3752563 -2.4312406 0.89446425 -1.4117674 1.2398726 3.1436133 0.7343998 1.1793313 -2.0644076 -2.2672157 -0.84615487 0.8281808 -1.6142185 -0.123874635 1.1776073 2.7625089 -2.8377402 1.4951887 2.184425 1.6304847 2.0282295 -0.29515707 -1.0981911 1.7370006 2.57387 -0.1525732 2.212833 0.25470865 0.2504931 2.4732342 0.91565704 0.27596372 0.056500286 -1.3728952 -0.920153 2.3082547 -3.8085732 -2.6047316 -1.8210735 -1.9920663 -1.2648823 1.8547046 -1.4930602 -0.30901492 -1.2760085 0.5905752 2.125075 2.063833 -0.987453 -1.155061 0.5415323 -1.0317335 0.4826931 0.45363745 -1.9414996 -1.27889 -3.4630263 -2.5460956 0.7141153 -2.8357174 -1.2578357 2.6007571 1.4384376 -1.6460986 -0.30419594 0.7387684 3.250155 2.2852662 0.695131 -1.1540498 1.3282493 2.6743486 -2.1792507 0.20228098 -2.7572305 -2.907229 0.798449 -3.6104665 0.8270227 -5.5396323 -1.2473167 -0.85973954 -0.9529293 1.0558338 3.0401342 0.5965471 -1.4814544 -0.16063777 3.7247038 3.582933 -4.301569 0.556064 1.6073399 -0.9301497 -2.3299952 -5.6527147 -3.9531085 -2.2866492 3.2975779 0.47670814 -3.4441414 -0.5593239 -1.007793 3.7534165 1.1305475 -0.5615689 0.13434447 3.949164 -1.214184 -0.39033583 -3.403273 0.8167175 -0.8773743 -1.5873271 3.0802221 1,5-dimethyltetralin is a member of the class of tetralins that is tetralin which is substituted by a methyl group at position 1 and at position 5, It is an ortho-fused bicyclic hydrocarbon and a member of tetralins. It derives from a hydride of a tetralin. |
2583 1.6842268 5.4061284 -1.9690106 -2.3311248 -2.512203 -2.0283396 -4.583516 1.5065979 -2.6488502 1.7176647 6.0396714 -3.2087548 1.0038967 6.547107 1.9698254 -0.69143325 6.3428483 2.2716131 -8.51095 3.2979264 -5.107373 -2.321646 0.099029385 -6.0055285 -3.6675248 -1.0541246 1.0603001 8.820279 -3.3813438 -2.8037238 0.81574255 -1.3300277 2.0155883 7.335536 3.1985312 5.655329 3.0039766 2.243117 -2.9042835 0.5283145 -2.0013194 1.2129654 -0.03611645 -5.8204565 -0.9447832 -2.5376291 5.6759357 -1.8235261 -0.5111377 4.5818324 5.770841 1.0798932 3.6925836 1.7403708 0.22232583 2.1736405 0.7987647 -1.566031 -2.5280006 -1.8992239 1.5731518 -2.7663078 1.0793504 4.591556 0.53296024 -1.4766436 2.8718803 1.061739 0.45681596 1.7183764 0.1371133 4.284709 -3.3284495 1.531621 0.88615465 -0.7973634 -4.6252027 5.5952682 7.351025 6.7711806 -0.74460316 -1.8409991 1.3386462 4.6763196 1.077799 -3.994727 2.3871846 -0.5346017 10.569108 -3.460749 -1.5891322 -3.871567 0.12568264 2.0185318 0.36356974 6.0198894 0.5773748 1.3518695 -1.1101418 1.830773 0.656189 -4.207128 -3.4096186 -2.7517729 2.4664364 -0.29104972 -3.1371362 -1.5840722 0.5751749 5.6156254 -4.2214355 -5.709581 -5.913608 -1.9685693 3.6668139 -1.3066502 0.025667056 0.43966576 0.98082364 4.7436757 1.9162698 -0.54874116 -4.4299126 -1.9131845 5.5691605 -7.917081 7.3851876 5.6000214 -0.6467774 7.0224385 5.2648916 -2.1457117 -7.2215457 2.3667562 5.8864923 0.7963131 -1.2118555 1.2822498 4.359988 4.644759 -5.7989025 -4.3148212 -0.45816633 4.9601917 6.9382377 -7.922395 -2.8199418 4.838995 -5.0506663 1.9560683 2.8894281 -2.309801 -10.955893 3.4304006 -1.4577932 -1.0915731 3.3229475 2.583844 3.4825988 -5.308103 -1.7742265 0.7771132 -7.094473 -3.8315537 2.633535 -1.1371309 6.703483 5.0482645 -2.9123118 -2.8507001 -0.270919 2.815801 3.2280881 -2.7958844 1.2648067 -2.659262 4.3068 5.015106 -4.2061167 0.5861286 4.776684 -1.5714709 -4.02937 0.261881 3.3353734 -1.637047 -2.6833413 3.8119252 0.40556026 2.3310924 3.4534721 2.2553992 1.5362849 -2.7998445 -0.9276241 1.5838212 2.3073535 -2.5615704 0.16628718 0.29454425 0.7162159 -4.778406 2.8080833 2.8979838 -0.21185498 1.628512 -1.5267832 -2.8178606 2.8032646 1.8083601 1.7367241 4.4679275 1.4487969 0.60071325 3.7745347 2.009448 -1.2191108 1.7128816 0.88375884 0.52109194 4.929627 -5.1888914 -3.3718464 -1.3438448 -8.9092045 -2.603776 3.514238 -1.0968776 -0.041283462 -0.8405529 0.72916853 5.928599 1.7187325 -2.8965688 0.72245336 -0.12757468 1.9141951 0.94931495 0.90074587 -3.5692458 1.4475416 -2.1193788 0.07446353 -2.7854576 1.2231282 0.4086832 2.0195234 1.0904206 -1.6859441 3.8241034 3.135402 7.146236 4.64802 0.6375158 -5.506591 -0.9359442 3.33244 -4.8771234 1.3030256 -1.7483771 -0.76308596 -0.41597858 -4.1088867 -0.7268745 -4.7287345 -1.5030289 0.42564124 0.22687997 4.1494236 1.6680653 2.4336073 -2.3451965 -1.0008914 4.881234 7.7174535 -2.6548223 -0.3882111 1.8879255 0.2497772 -1.9217527 -8.655685 -4.6952515 -6.4320636 3.6824868 6.478858 -2.8128288 -1.2038407 0.30752552 6.705732 0.9057068 2.9583192 0.7959222 9.564171 -4.535089 0.8617471 -6.991176 0.7832358 1.9767108 0.40288043 3.4269826 Carteolol is a quinolone and a secondary alcohol. It has a role as a beta-adrenergic antagonist, an antihypertensive agent, an antiglaucoma drug, an anti-arrhythmia drug and a sympatholytic agent. It is a conjugate base of a carteolol(1+). |
23427220 -3.1502087 7.391712 -4.437726 -4.89519 -2.1535087 -8.377277 -11.416794 2.639323 -4.370401 5.608265 10.04755 -9.01665 3.659422 10.590344 5.421575 -4.0838327 3.3227177 0.5558878 -14.881442 5.523761 -5.7841945 -4.0323176 -2.810184 -7.884437 -3.8739176 -1.5410496 1.1602957 12.151508 -3.9275882 -6.2877283 -1.5981439 -2.8602636 2.3502238 6.8134775 3.8904552 6.6535583 2.247348 2.948898 2.8288348 0.85530514 0.45779157 3.1920292 -0.23259017 -5.412941 -2.370895 -5.7000747 7.3276997 -4.868354 -0.6651373 5.1156015 9.832975 -0.7415065 4.238479 5.83715 -0.8443097 -1.2547901 -2.3488126 -5.254319 -5.0237913 -3.2473009 -0.75528 -1.2666767 -1.4375937 4.197777 -3.5047574 1.833893 1.4203765 3.2304342 0.49360782 4.0115304 0.92399263 5.0838137 -6.9674997 0.12024933 -3.6723921 0.013203025 -8.503322 9.255501 6.5814705 11.039618 -1.5156667 -4.0202837 2.1145055 4.4441524 -1.1638107 -1.9491959 1.3021739 -3.514941 12.010525 -3.777655 -4.661703 -5.875561 1.4220628 2.9448216 -0.6130309 3.3111217 1.2066898 0.09139878 -5.2443905 -0.095356695 -1.255558 -6.4659934 -8.675906 -4.765247 4.3403916 0.06702831 1.009154 -6.0628223 -0.61752284 4.224457 -4.0925026 -5.8449574 -9.777406 -4.350191 8.1285925 -4.186262 2.3472278 3.691294 3.4707131 7.5269055 3.1734734 -2.8129928 -5.685417 -1.0105379 9.32531 -9.028064 11.673683 6.8396373 -1.1191304 4.0255303 8.76669 1.4949143 -10.456278 4.385146 9.953276 1.3760793 -3.5930114 -3.3258562 5.849005 9.24656 -3.1303625 -1.6752597 -4.0434484 7.365932 8.759704 -11.356016 -2.514139 1.9093455 -8.588529 0.38505 6.508259 -2.8318326 -16.127949 4.7373514 0.20682566 -2.668684 4.983401 3.4620275 2.9304597 -11.081437 -3.697637 1.630535 -4.924541 -6.08833 6.182851 -5.545867 11.288234 6.1238403 -5.5195694 -3.4626064 -2.855257 0.14530377 6.8794675 -0.23355238 1.0300372 -5.303403 4.7277284 2.3122017 -4.228389 -2.1335046 7.8938546 -0.9586586 -6.1359744 -1.6867754 4.9921265 -1.5644306 -9.455889 5.764487 -1.8159873 1.438339 9.559902 0.5896932 0.23370089 -4.3011465 -3.7678452 -1.5053952 5.5077524 -2.572318 0.25020036 -1.3201752 2.098658 -8.428998 1.3596997 5.0257936 -1.6057714 3.2674744 1.8643842 -3.0413926 9.7425165 3.0932982 -1.0542554 8.446871 4.9895725 2.99253 6.110097 4.6499324 -3.7850864 3.3798418 -1.9644616 -0.6355859 3.1741676 -10.439767 -5.8029704 -2.108809 -10.314749 2.0437744 8.76672 -3.0708272 0.5197587 -2.419535 0.15909088 9.990364 1.7468951 -6.63924 1.2509046 1.9127535 -0.8254784 -2.2722182 1.4617772 -2.7108116 -0.19893712 -3.8245058 -3.4928677 -2.1841607 -0.31446838 -2.6885147 4.1736107 -0.011893861 -5.6802044 1.4945292 5.03245 3.922583 4.675306 -1.3065646 -5.3545256 -0.22545196 4.481548 -4.3491445 2.1491547 -6.137565 -0.917529 -4.939902 -8.509735 5.2110806 -6.715341 2.204943 -1.4510537 2.4008489 2.364019 4.1098866 1.901295 -3.2414083 1.536554 9.818869 11.156932 -5.5717273 4.72509 5.2187033 1.1458677 -2.474253 -10.137614 -4.848611 -4.824308 7.7489715 5.3963976 -2.2043324 2.8568664 1.1611681 4.527939 -1.8536237 3.850594 3.914771 6.075315 -4.2179627 0.3234372 -5.666023 2.7033684 3.083917 -0.49774414 5.364629 Cystodytin G is an alkaloid that is an enamide obtained by the formal condensation of tiglic acid with 6-(2-amino-1-methoxyethyl)-4H-pyrido[2,3,4-kl]acridin-4-one. It is isolated from the Okinawan marine tunicate Cystodytes dellechiajei and exhibits cytotoxicity against human epidermoid carcinoma KB cells It has a role as a metabolite and an antineoplastic agent. It is an alkaloid, an enamide, an enone, an organic heterotetracyclic compound, an ether and a secondary carboxamide. It derives from a tiglic acid. |
121232643 -0.7867782 1.5734563 -1.1641862 -2.5277486 2.1353774 -3.531841 -0.27694845 3.559609 -3.4479816 2.1732478 2.5148234 -7.6720405 0.47176796 -0.24935868 -1.4508764 -2.714666 -1.5957658 1.1996678 -7.5370164 1.4299887 -5.0659976 -2.2868218 -1.3760536 -7.494369 -1.3929192 5.354113 -0.9799621 2.968804 -4.3015924 -3.8762453 -0.62549627 -1.7156587 1.2441913 5.234388 3.613995 2.54236 -4.8501153 7.648892 0.46274912 4.863673 -1.1512821 -4.4317117 -2.6513495 -0.057117432 -7.511505 -0.3670291 -1.6587225 1.9285434 -1.9731367 4.0197225 3.1004558 2.0056808 2.59047 3.744484 3.753777 -2.1594152 0.8527517 -0.25157306 -0.04696467 -3.1133242 -1.4587759 -5.616894 2.9227152 6.792756 0.27095318 2.0824358 0.13028249 0.94747245 0.30520955 0.38202205 1.3426093 0.45361078 -4.344212 2.2385676 -2.238251 -1.1063216 -1.3258308 1.6985509 1.4117062 2.462003 -3.9025133 -1.4442929 -0.49549246 5.3372817 1.917081 -1.0645204 1.3785005 3.2567248 5.44219 -1.2104065 -0.30671486 2.8342016 1.2918388 0.8122891 -1.4167366 -0.6526182 1.9795704 -1.5723075 1.5027972 4.385947 3.6712203 3.2681103 -2.538054 -0.051901937 -3.9057646 1.6989565 1.7430437 1.3865788 1.9206086 4.4730124 -3.647446 3.1156151 -5.0554795 -1.0508115 -1.0673218 -0.44686246 0.9128629 0.8809996 3.8644066 5.615857 5.458389 1.6661787 -5.6299734 -1.955341 1.688564 -6.500069 5.874887 5.13492 -0.15145499 2.611147 7.0311227 -4.032247 -1.0092677 2.627032 3.7511597 -1.7500299 1.7531835 1.3007808 8.226433 -1.3080273 -4.1184673 0.88157594 2.78817 4.4671936 8.197058 -6.4921136 -3.6604111 6.0374236 -5.601172 0.6634667 1.6995411 -1.7529961 -4.1637874 1.8470128 -2.656916 2.3118665 3.941822 5.3094516 7.164278 0.27589205 -4.3240995 1.8807243 -3.206107 -3.9096353 4.2698045 -0.9872625 4.526039 5.2216773 -1.3673917 2.1070364 1.1895127 4.569959 0.3077594 -0.2146002 0.28472254 -1.6167217 10.069788 2.899398 -6.7877784 -8.231071 1.9115034 0.83260596 -3.140372 -1.5557567 5.9543347 3.75876 -3.1728404 -0.95676285 5.6749463 4.4898853 5.199752 7.3680725 -0.112018414 -2.5389419 -2.244054 1.7219604 -0.7052041 4.0065584 3.5078628 -1.2079452 -6.1443043 -1.3962791 2.4060097 1.9582219 0.16390955 -4.4274325 0.26048034 -0.49945188 1.878694 1.3914762 -2.4624002 1.7737501 2.1435277 -3.2050235 1.7272065 0.9090187 -4.473317 0.3418371 5.143463 -2.3794222 -2.8027303 2.3799028 -3.391231 2.838296 -11.1841135 -0.43302244 -3.3527896 -1.188887 -4.577516 5.0243707 -0.9699556 4.0993857 -3.9413478 -3.5905173 1.1974378 1.7423553 5.728159 -0.40918827 -1.2670646 -0.16443785 0.23607129 -1.6870171 1.78333 -1.6424593 -0.013009295 0.25559402 1.9990922 -2.7119198 -2.6271958 3.5960698 2.9364235 1.3644205 -1.2818817 3.591114 -0.994996 0.5422537 4.8131504 -6.745522 -2.4511864 -1.7293435 0.4713896 -4.150793 -0.82091695 -2.1967056 3.5261765 -0.14246835 3.5383375 -1.3268569 4.7082367 -1.4107307 -3.669023 -1.2013943 2.83357 3.1165967 1.7936054 3.399395 -1.8929958 -0.8312931 3.454345 -3.6380696 -4.9865975 -2.5902352 -2.5935874 -1.1707324 6.701699 0.41062564 1.5962691 0.5596288 4.1194763 1.8300172 7.287738 -0.48251444 3.0813882 -1.194971 0.749402 -4.216949 2.6353953 1.0752953 3.0318964 2.4754438 Hexahomomethionine S-oxide is a sulfur-containing amino acid that is the sulfoxide obtained by formal oxygenation of the sulfur atom of hexahomomethionine. It has a role as a plant metabolite. It is a non-proteinogenic alpha-amino acid, a sulfoxide and a sulfur-containing amino acid. It derives from a hexahomomethionine. |
71297894 -15.5862 33.924347 20.061653 -4.355687 3.7785182 -98.025055 12.271695 -1.2842338 58.97172 22.980509 -0.269564 -23.74829 -46.190697 27.265118 25.922056 -16.345625 25.945108 -45.113743 -116.00064 56.598507 -28.815403 -75.07949 -57.172016 -25.810802 -43.3308 9.8958 15.474759 31.490356 6.9516377 -31.116285 12.637217 -10.914511 14.963738 44.074398 82.19557 1.5069377 -26.07061 52.475246 13.5048275 1.1644933 -52.761135 22.414974 -9.437558 5.5363836 -15.867852 -0.55875206 -5.110007 36.94641 -6.0941615 105.04833 37.221424 -16.2795 51.272224 11.09133 77.66502 -0.89257795 -18.74967 49.90933 -19.366882 -12.7946005 23.17676 -36.018105 6.3732414 27.136002 -32.46194 1.2283119 24.445307 18.458342 -2.0626764 -36.117004 3.765105 23.188824 -54.540234 21.294115 -1.8450104 -33.22834 -87.74978 54.793633 -3.4291685 12.46624 -49.915398 -36.322998 -28.525043 15.34995 30.115068 -13.224139 44.535423 14.717941 42.053165 -16.437277 -7.044012 1.0000669 -1.4490308 21.072357 -11.094234 -24.95934 44.14526 13.387831 -0.1218947 -18.251638 49.683823 -3.6169183 -69.49808 -3.6393 42.55529 19.667557 -8.432706 4.331556 8.828 28.683058 -37.579216 31.072617 16.74193 -8.953183 72.783615 -47.377827 -21.620502 27.837746 50.92772 41.552044 46.295895 17.951292 -56.416004 -18.045938 36.45472 -98.2552 83.55739 41.10546 -60.251396 41.648464 1.31816 22.783913 -65.07158 86.527405 104.65761 22.093502 24.036 -17.686249 81.35075 68.88572 -41.322468 -2.155347 17.649693 24.639807 111.46316 -42.82368 -37.29962 83.60218 -63.477993 10.612846 42.2068 21.739103 -48.41898 21.223717 1.5818835 27.705177 91.916466 52.482357 101.19697 -20.908728 -94.76303 2.932514 -46.60135 -3.2797215 30.905783 -14.246116 138.3776 40.01129 -58.209473 0.62996924 39.702515 55.5897 42.928654 -11.596294 -16.711891 0.4028597 69.617805 66.904 -17.155006 -13.356033 -52.176117 12.336979 -48.417706 2.8276885 6.054517 -16.972866 12.889204 -39.72342 18.859636 -3.6621408 33.9269 26.188814 13.178187 33.447506 3.9938796 36.2709 9.566024 4.9138055 11.42924 13.188431 2.2012367 -9.683196 27.18845 68.85102 25.914316 -5.86951 -9.942001 3.4512334 -3.4742815 40.158993 9.259771 -14.837454 -36.832336 -20.426327 -25.16094 43.32108 -13.065168 -0.6898561 25.265648 -28.179869 -11.013696 -0.26922426 -6.0588174 48.072617 -21.989744 -46.13359 -48.648506 18.76758 20.584227 28.533491 -1.8509841 12.916119 11.449636 4.7885795 -9.948401 9.089382 52.908314 -5.2308025 -71.16803 -31.24003 -12.968622 -3.958532 0.31236774 -16.009827 40.899403 11.432738 8.720741 -36.03354 -14.583075 -8.903616 17.76349 16.88306 -30.6512 27.117283 30.030062 40.67395 0.9648877 -73.26885 -31.262636 17.480696 -33.264515 -34.83988 12.723293 -8.813915 11.0769005 -21.585415 34.277706 31.419767 52.828224 -13.771499 5.7254496 2.942702 8.714118 6.4557204 76.57327 68.963295 -9.868708 -34.30191 38.27226 33.883514 0.37109816 -12.481867 12.877811 2.6935186 50.284393 -45.800766 -28.15953 -17.828506 60.945786 15.765639 29.849998 -31.15723 86.92489 -8.556738 23.690336 -76.96781 -14.5409155 -17.962204 43.345833 20.027294 Beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)-[beta-D-GlcpNAc-(1->4)]-{beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->4)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)]-alpha-D-Manp-(1->3)}-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc is an amino oligosaccharide that is a dodecasaccharide derivative consisting of a tetrasaccharide chain of N-acetyl-beta-D-glucosamine, beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues, all linked sequentially (1->4), to the beta-D-mannose residue of which are also linked beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl and beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-[beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)]-alpha-D-mannosyl units via (1->6) and (1->3) linkages respectively. It is an amino oligosaccharide and a glucosamine oligosaccharide. |
20848938 1.6075871 2.7537346 1.1873727 -4.5904665 -1.1003994 -5.227234 -0.76822895 3.595003 -2.3431842 2.1662314 2.1546621 -4.450533 -0.7798809 -2.4147704 -2.1306267 -3.6613011 -1.0241423 0.89172876 -4.343374 1.2874606 -5.412736 -4.5100036 -1.7879817 -6.904242 -1.4619632 3.602977 2.404153 4.3702536 -2.3535125 -4.5655303 -1.8614206 -5.0689936 -0.46357343 4.2965713 3.2611306 2.9230607 -1.305997 6.935873 -1.3624327 6.6110587 -2.9542367 -3.1707265 0.5097921 -0.23658966 -5.6349897 1.2407653 -1.1513134 1.1813462 -1.6283886 3.284513 4.813508 1.8479869 3.5784183 3.9126523 3.240673 -1.8314273 2.6822188 -1.0607985 -0.6092972 -1.2656616 0.6924292 -5.0744696 1.39796 4.357717 1.2490147 0.42493418 1.8643699 -1.001473 2.2749887 -1.2275254 1.7140558 1.8798997 -3.8469071 1.1383502 -3.7035117 -0.52928436 -1.5396358 1.151757 0.28408378 1.7318809 -3.8991241 -4.0303564 -0.67656994 2.004058 1.954608 -1.8857559 0.68798673 4.2010574 3.342322 -0.60543984 -0.4878463 3.501614 0.5032266 0.69545895 -1.0791348 0.98409724 0.5834645 -0.75059706 0.38398865 1.4967691 3.2501147 0.79203516 -3.3602579 -3.1671073 -4.5567756 1.1053377 -1.1989043 -0.12087892 1.200707 3.9102483 -2.9709163 0.94457805 -4.939858 0.09706792 1.5465424 -0.7379622 1.1538882 1.0923126 2.6367166 3.8769987 5.979927 0.21352404 -3.9443407 -1.5351831 0.09125209 -5.0169187 3.9626594 6.090547 -0.6383293 1.4895207 5.807224 -2.8074806 -3.1087961 1.7458634 3.2306533 -1.0415099 1.3521873 0.18139754 9.252308 -0.99942106 -2.9256063 -0.3283502 -0.2808897 4.7978077 6.2973943 -7.4887753 -0.7796417 4.447884 -2.1639729 1.4282864 1.1999727 0.1458093 -5.3374825 0.00021775998 -1.2330576 1.3026124 5.155862 4.508259 6.1368484 0.013053052 -7.101614 1.9472494 -1.6669883 -4.7209516 2.8398383 -3.304785 4.0956006 3.324305 -3.3028753 3.766146 0.82935005 3.9437492 0.74489754 0.73545444 -0.49171704 -0.7122726 6.3716025 3.847082 -3.511855 -7.586386 3.1824703 -0.019767158 -3.6599274 1.6404135 3.1268444 1.1626744 -3.0910347 1.9841373 2.9365466 5.4436464 4.081545 7.5692725 -1.3968111 0.15423703 -3.256371 1.3638555 1.9258763 3.4601011 1.4206614 -1.2155973 -5.1645374 -0.6522684 2.3794487 4.099753 0.48602173 -3.5443444 1.4040484 1.0145477 1.9789243 2.3405986 -0.9992067 -0.4509287 1.0438261 -3.3000088 1.4155093 -1.7791011 -5.1357183 -2.8017159 3.748995 -0.8647707 -0.8015734 2.836957 -2.6436656 3.5839438 -9.360242 -0.18129587 -0.8994851 1.9770777 -4.448863 2.610929 -0.17300156 1.6344748 -3.581037 -2.8380368 2.640191 -0.16174597 6.3273444 -1.0672224 -1.7731297 0.32003307 1.7748283 -0.6323068 0.17239527 -2.1958518 4.2084026 -0.37671134 0.019088931 0.77732915 -2.7938766 1.7716879 5.380885 1.1123422 -1.5088145 2.2131188 -0.83888185 -0.80256784 5.016984 -3.4353185 -1.9372237 -2.1940339 2.336533 -4.32571 1.4562758 -1.8449413 1.6027583 1.9280739 0.14749028 -2.5718508 4.489413 -2.7221987 -2.4117115 0.049742743 3.6335704 3.7361548 2.694046 3.7720227 0.10965073 -2.5183246 -0.19338545 -2.209947 -3.7176788 0.036487475 -1.0153325 -2.2803898 4.9938917 0.5222014 1.0112303 -0.5978562 2.8981438 0.27853668 7.145948 1.6780785 3.7726626 -2.117608 -0.16619754 -5.9323754 1.0628814 0.24547374 4.5265946 3.1997817 3-hydroxysebacate(2-) is a dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of 3-hydroxysebacic acid. It is a 3-hydroxysebacate, a dicarboxylic acid dianion and a 3-hydroxydicarboxylate(2-). It is a conjugate base of a 3-hydroxysebacic acid. |
11243710 -0.017942429 2.9187813 -0.8305819 -8.8137045 -4.252602 -3.4307148 -3.596658 3.2631602 -3.682456 7.425491 6.172311 -5.195592 5.141257 2.7092052 3.356288 -5.7450075 4.2762275 0.8249622 -11.248484 -5.0823903 0.93069524 -4.767023 -3.964825 -8.799396 -3.6874049 -0.7391473 3.1297042 14.796112 -4.6312804 -5.8793535 -1.1682215 -0.9077636 2.2081826 1.8514725 9.17413 4.8553076 -1.3165696 4.781366 0.41909534 0.4104134 4.572674 -3.915344 0.38175827 -5.9841275 -6.5237556 3.406468 -0.3226635 2.8569367 -0.72937226 5.267937 5.699473 -2.9827123 7.3453846 6.9489255 4.2448745 -2.6215298 -3.0341775 -1.5900446 -0.7184004 -6.310361 4.1384616 -6.0240774 0.6391103 9.334128 -3.6278553 3.1278558 2.2752259 -3.2719748 6.39405 -0.33641386 4.4134145 3.787891 -8.734377 1.8210778 -3.0869503 0.28754473 -5.2839026 3.2753177 2.9060643 -4.732792 -5.2687817 -0.02616094 -2.6600838 3.8201911 2.4127257 0.19146188 1.8607066 -2.1016688 6.855256 -2.031677 -0.6448033 2.9315763 8.218164 0.9368502 0.6649229 -0.21131629 4.1886134 1.1021059 2.3231218 -1.1771919 3.0554087 -0.6865469 -7.1183925 -4.22065 -4.226756 4.4026937 -1.127318 -0.11163606 5.156855 4.2038655 -2.635094 2.4745939 -8.855735 -2.5278857 -1.5475965 -4.6639457 -5.0004334 3.5403643 4.8888974 11.153383 7.9912148 1.7806687 7.0670624 4.043039 1.2663116 -12.997634 7.4820633 8.144192 -1.7012088 7.8022065 4.4976654 -1.627141 -8.524232 5.6511655 8.682722 -1.0315378 -0.68663913 2.941752 17.328522 7.9746494 -7.530227 0.79679924 -0.20231107 6.155536 6.228676 -21.048386 -3.6360626 3.6764972 -12.301579 2.553271 -4.6753354 -0.30466914 -13.490057 5.84267 3.7317483 -1.5274814 6.33052 11.173499 14.846594 -5.262701 -12.989448 3.427486 -2.1309714 -8.623434 2.4733794 -0.48650697 3.0546517 8.888223 -6.330937 2.7327714 3.354965 9.263029 -0.73839986 2.7451808 -5.8210073 -2.7086992 10.493989 8.780996 -5.66144 -5.2139316 -0.67978144 -0.24449742 -7.4885387 -0.45401475 7.4418545 2.0486047 -3.3390162 0.7937652 0.30218762 2.1200132 0.8278796 11.457223 3.868553 -2.9867547 1.0002546 2.4019697 6.985643 0.53277755 2.4896166 4.6324778 -0.10540122 0.7955642 4.5101194 5.159819 -0.8551297 -2.7258706 2.5144393 -3.8161705 2.6029272 0.9681035 -5.1330233 3.5267544 0.4415991 -8.93999 3.9726143 -2.710726 2.4574475 -0.6667218 7.797782 -2.2285974 0.17975757 8.657416 -6.4544916 4.548386 -11.370509 5.4148374 -3.7058003 2.9825184 -0.3899718 2.6051047 1.3413733 1.5484972 -4.0239797 -4.912048 2.7247627 0.7678292 3.1832185 -4.67523 -5.131542 -7.4605727 -1.9755819 2.82584 -0.5334745 -3.2982652 -1.3611188 3.702742 -0.8316351 0.25483876 -3.4622097 8.3296175 3.6731732 -0.31877425 0.29377964 1.0184827 2.4572525 -3.872543 4.762126 -6.04128 -3.614228 -2.558449 -2.602748 -10.698864 -3.5084844 0.245588 0.6231621 6.0950236 4.7749953 3.312296 4.358408 -3.20056 -4.6521626 -1.8453529 2.913258 3.2360177 1.2230889 8.128718 -0.8744383 0.47183472 3.900573 0.066093385 -9.873961 9.482124 -6.0137477 -2.1291685 6.500865 -1.7770281 -1.9229535 -1.1877546 10.333794 7.815921 7.2819424 3.204461 6.05881 2.7578135 -0.19852087 -6.542448 2.212327 3.7912195 3.9463987 2.5685925 Omega-hydroxygeranylgeraniol is a diterpenoid obtained by hydroxylation of one of the terminal methyl groups of geranylgeraniol. It is a diterpenoid, a glycol and a polyprenol. It derives from an (E,E,E)-geranylgeraniol. |
139291708 3.697335 7.6823215 -1.8886598 -2.824137 -6.095291 -7.3034196 -4.7639337 0.64054006 3.496447 6.86872 5.9543004 -4.385778 -2.1592588 8.8846 0.46648926 -0.34679025 10.433626 -1.9354215 -12.969049 4.9508715 -3.009293 -11.586211 -7.8623743 0.15476589 -7.676957 -0.78248215 1.4705682 10.64563 0.8638497 -5.6889334 3.0550485 -4.1976438 -3.1816509 6.6452947 11.940246 -1.3898593 -0.99873495 6.8218565 -2.8627815 -1.8144581 -4.754364 4.411637 7.0672717 -3.752387 -3.1559806 -6.654235 -0.70629656 -0.27375385 -0.1769465 6.4801583 8.038128 -4.4446287 5.534969 1.2934358 4.411185 5.123165 -2.9856203 4.997588 -2.6355567 0.036328405 5.3409624 -5.328497 -2.9384556 14.991708 -3.6694334 -0.804409 6.180527 5.157713 2.5405235 -2.0391707 -4.1042743 1.245098 -7.0959315 1.0085198 3.5966537 -1.3606462 -6.892927 10.116633 3.8986013 6.719402 -6.591381 -0.046397537 1.8481882 8.580901 1.5487616 -6.736046 3.8164988 -4.610375 11.670519 -4.419073 1.3294826 1.4380366 -3.4896107 1.7645344 -4.9952126 3.5075715 2.7439458 2.2558124 -2.2650266 -4.059003 3.8126578 -7.2551403 -8.41256 -0.5191696 5.982152 4.600734 -3.893093 -5.7134686 -3.7341874 5.7553396 -5.0961266 1.1536696 2.325592 -1.4428777 7.9961524 -4.5383844 -1.9558774 0.88649356 7.565463 5.7035027 1.9598662 2.3146868 -4.512538 -1.5948077 6.534341 -11.181712 10.286617 3.6240635 -4.2873154 6.436939 3.445603 1.7939745 -11.687672 6.5731583 13.559589 1.6835598 3.5484169 2.0622768 7.8424096 7.8718987 -1.784713 -2.2882547 -2.3265738 3.3498306 5.6193976 -5.6339707 -5.666262 6.5174956 -6.974553 -1.4736742 -1.2115366 0.5021365 -10.86101 4.6014977 3.613844 -2.0210814 7.0409646 6.170366 5.8596916 -5.491119 -8.540717 1.3424064 -3.9546456 -3.3667743 -4.756915 -1.0346794 15.184398 6.731081 -10.620078 -3.682218 0.3217647 7.2446475 2.2115834 1.1420728 -4.2485876 -2.3926787 3.9551241 8.63442 -0.79840404 0.96358275 -2.845707 2.372192 -8.270535 0.27850387 3.1242285 -1.598356 -6.778109 1.1791885 4.9180236 1.7732282 5.7067204 5.5617757 0.3428464 -2.1133013 3.3410072 0.47029233 7.311398 -0.104097314 2.4029381 5.6142507 1.9840306 -1.0243579 2.6900237 9.428988 3.1806092 0.78801763 4.382751 -2.840093 4.8848505 5.2562523 3.514388 -1.9691255 -3.0332968 -7.2000823 -0.0077294707 3.75316 1.0221009 -2.8543234 1.2694756 0.121151045 0.91263473 -4.119607 -2.1070096 3.5025969 -6.6171107 -4.607496 -5.2178197 1.6716405 0.485902 5.009344 3.6438482 1.3229425 4.3409796 -1.3871762 1.9127767 2.4542608 4.208498 -0.24438609 -5.0821986 -8.31728 -3.3231199 -1.8980374 -4.7638736 0.3812069 -0.2716576 -3.3826091 -0.9677494 -0.37985414 -5.501311 -6.8911467 5.4608674 2.853811 -3.387015 3.069026 2.2171957 4.7329464 3.5688543 -4.2075024 -0.53200936 1.7990912 -5.531956 -0.74182034 -3.118899 -2.7100158 -3.7920256 -2.1820626 2.3536556 -1.0002882 5.30828 -0.73388696 0.6965651 -3.621393 -1.3660897 4.3149405 6.607822 -0.67185146 0.5390573 1.5316898 -0.85412323 -3.4996712 -11.364924 -2.410464 -1.8444197 6.33694 1.513501 -5.5390787 -9.188494 -2.7661014 7.6191096 2.9515896 3.685062 -3.9259474 13.978147 0.6694131 -2.9640799 -13.549249 2.8487322 -3.989421 0.8617144 7.482135 Viguilenin is an organic heterocricyclic compound and germacranolide with formula C20H30O7 isolated from Viguiera linearis. It has a role as a plant metabolite. It is a sesquiterpenoid, an organic heterotricyclic compound, a cyclic hemiketal, a bridged compound, a gamma-lactone, a carboxylic ester, a secondary alcohol and a germacranolide. |
439926 -0.5426786 10.896018 -0.16983826 1.5900956 1.7780185 -21.923586 -1.9458942 -0.6156579 10.064636 6.290755 -0.6555283 -7.360558 -11.989298 6.230984 3.56879 -1.690271 5.7059875 -8.90707 -29.023382 13.956197 -7.4382143 -17.41468 -12.70192 -5.7489614 -11.070511 6.3844266 1.4109374 6.9658966 1.1892946 -6.319436 3.1381855 -1.2340151 4.649874 13.139001 20.845076 -1.9896998 -9.015823 11.289319 0.7430959 0.4491434 -14.012899 4.919374 -1.1929345 2.7590272 -5.2449794 -0.521694 -2.7487726 7.1535254 -2.9430013 23.071373 6.933321 -4.790692 10.415101 1.259175 15.946162 1.4735935 -4.8339033 10.482833 -6.0920534 -5.089812 4.008091 -7.1835847 2.7343593 9.112116 -8.416612 -0.8854964 5.0457106 7.602283 -3.1446304 -6.321911 1.5141822 8.513357 -14.389238 2.8683486 0.46855256 -7.8750095 -17.92541 13.41249 1.7190754 5.1853194 -12.83745 -9.458107 -6.2151365 6.628141 6.740772 -5.2469068 8.577079 1.5437673 11.383111 -5.177596 -1.1764233 -0.85355264 -3.0353925 5.136054 -4.4017606 -5.1533313 8.283202 0.5210973 0.084327966 -3.628159 14.150417 -0.6945663 -15.030086 0.75456405 13.512324 2.8016386 -0.21556458 0.65090007 0.4530446 6.4645243 -8.740457 5.756656 3.2458007 -1.1406119 20.041134 -12.669606 -1.5971878 6.6130476 11.084635 10.436765 9.094424 1.7087998 -16.785816 -2.6243596 6.341708 -21.509838 21.772371 8.396407 -15.595052 8.576217 4.035194 3.5988276 -13.781094 19.673334 26.061289 2.5917468 6.7114553 -3.5077703 15.704209 14.376446 -6.568969 -1.8194368 4.15721 5.3051777 23.813122 -5.7195826 -10.762193 21.724808 -15.292831 3.4574833 11.287346 5.546802 -7.10698 3.5142877 -1.9102576 7.7763243 23.836906 10.607589 19.460081 -6.3123493 -19.914988 -1.3435055 -10.776073 0.16610536 5.867629 -4.853562 31.787867 9.083488 -11.482352 -2.4394197 7.5816846 10.670681 9.721538 -4.092234 -1.628675 1.1969068 13.057113 13.268988 -3.5805702 -4.0888624 -12.828747 2.5964255 -10.739822 -2.341527 4.1261244 -3.052704 5.463589 -12.911069 6.974214 -1.5960691 6.9474735 5.976356 2.5805786 6.681618 -1.5730273 9.967643 0.9283587 1.5109148 3.083444 2.298972 0.00066550076 -4.5578895 7.4053392 13.319629 7.5576596 -0.9073397 -2.7472978 1.8475739 -0.5301423 8.978568 2.0673923 -1.0192541 -8.077865 -3.8267956 -4.2746983 11.162638 -0.6192595 -0.13960323 3.305135 -6.626442 -1.8088905 -4.155944 0.2450736 11.976915 -6.081301 -12.656873 -14.243126 -0.7374776 3.6513648 6.7368407 -1.0565698 3.3791513 2.2349777 3.9324882 -2.1816132 4.6225476 13.429271 -0.64904106 -11.99882 -5.78181 -3.7715402 -3.2905786 -0.70549506 -0.08279693 6.7117844 0.9883226 0.89195096 -7.9363093 -1.8561987 -2.4835572 4.315941 2.5490668 -6.5553904 9.87647 6.9638596 11.091613 0.60066634 -19.929287 -3.794458 4.592056 -8.341858 -6.008445 0.98604 -3.0200245 4.1804047 -6.056715 9.865908 8.61717 11.814346 -0.79239064 -0.50428987 1.4405853 1.4140066 -1.2764496 16.614973 12.340587 -0.45006025 -8.662551 7.279166 7.747879 2.7503598 -7.3711333 4.3558345 0.46357536 10.063518 -13.121575 -6.814673 -2.559305 11.330556 2.2222788 6.015515 -11.209995 19.619581 -1.3465427 4.069191 -18.274117 -0.22859296 -3.318131 6.587724 3.8898783 N(6')-acetylkanamycin B is an N(6')-acetylkanamycin derived from kanamycin B. It derives from a kanamycin B. It is a conjugate base of a N(6')-acetylkanamycin B(4+). |
6930705 -0.3319721 2.25656 0.34610763 -2.730711 -0.24121688 -3.753542 -2.8281744 2.5028043 -2.2437608 1.8059304 2.2263231 -2.443628 1.0572054 2.578747 1.445345 -2.4996495 1.5317259 0.7745292 -4.304768 1.7926103 -3.2510684 -2.491334 -0.8876949 -4.442561 0.54178435 0.5640816 0.8124208 3.8354657 -1.370977 -2.6460798 -2.1760938 -2.3071764 1.5833148 1.9518006 0.43266094 1.8746704 1.4171801 2.5009284 -0.5030215 2.1036654 -2.4552128 -0.21228749 2.2568953 -1.9093815 -2.8264625 -0.24834636 3.0225224 -0.9912126 -1.2610952 2.0183024 3.937072 0.6936164 2.0210738 2.4943762 -0.7933962 -0.029705942 -1.0202291 -3.1236908 -2.3725166 -0.12497975 -0.30728298 -1.1116502 -0.096677385 1.146951 -0.0942225 0.84725296 -0.30873787 -0.29461068 0.38615096 1.042751 1.0609272 2.0842757 -1.8788633 -0.20139606 -1.7832805 -1.7650894 -2.2245529 2.4064577 1.9930137 3.0430958 0.53138286 -2.9755857 0.029385187 -0.56468153 -0.6708279 -0.7449071 0.43506843 0.197162 2.7403166 -0.26461372 -0.43737447 -0.9000407 0.1786507 0.7656255 -0.10969336 0.8572665 0.17967072 0.2278462 -3.3431711 -0.46557575 0.0063138455 -1.7224481 -3.3036442 -2.2667112 0.1043877 0.7625133 0.25829366 -2.9549356 1.6344604 -0.095303684 -1.2116086 -1.9635817 -3.1623695 -0.75905955 2.704398 -1.8900617 3.2658203 -0.30849934 0.4350535 3.3119717 2.1818616 -0.591372 -2.980752 -1.0943816 2.9744506 -3.661204 1.6162554 2.9752097 0.42683503 0.8131636 3.5577943 -0.2943714 -3.7688317 0.22370392 3.6957839 2.2473478 -0.998627 -2.2706172 3.669847 2.2073255 -1.6299015 0.30761796 -0.14103389 3.1476648 5.3979106 -4.860117 -0.4428743 0.9438199 -3.2929552 1.6607237 4.2131166 -2.2957993 -6.978419 0.44368875 -1.524726 0.79445076 3.1054175 0.9683876 1.6427419 -3.3141744 -3.3794537 0.59554726 -1.0793874 -3.0505226 2.9234061 -2.369891 4.8565116 2.41107 -1.9342346 -0.31721383 -0.15024072 0.6165652 2.9222488 0.11973754 1.4463333 -1.9212242 3.3532379 0.74878985 -2.906465 -1.7288334 5.3201013 -0.727281 -3.85184 -0.2657255 2.718256 -0.08901124 -3.6786067 1.8056221 -0.7586299 1.787471 4.2761517 1.6291747 -0.4963938 -1.0000616 -4.37524 -0.20062913 1.8867311 0.8158276 -0.33937192 -1.2053694 -1.6006868 -4.522139 1.7949737 2.6792336 -0.6308044 -1.0067908 0.77066433 -0.21845523 3.510382 1.8947777 -0.90836376 3.0284386 0.5370011 -0.7407345 2.4981575 -0.9340841 -3.2736688 0.09808624 1.287684 -1.6965528 1.0538403 -2.221865 -3.4970922 0.65552133 -5.260633 -0.05454552 2.822229 -0.017579168 -0.7908982 -1.8814951 1.0776695 3.3019633 -0.3625453 -1.5144222 -0.59343714 0.12762704 0.7485968 -0.4739387 0.5865636 -0.22447431 1.0876995 -2.009547 -2.049533 -0.7117479 1.2485504 -1.8920393 1.2860864 0.45966905 -1.7618855 1.6678346 2.2228026 3.0145874 0.44218048 -0.0036377013 -1.7184379 -0.37955043 2.8972893 -3.1542044 -0.4068121 -3.7035 0.3760535 -2.889861 -2.0641124 1.1576098 -2.391624 -0.054979503 -0.6630288 0.10148838 1.3516548 1.1670614 0.11637312 0.08134237 2.856488 5.3087025 4.1364403 -0.79130584 1.9720881 1.66584 -0.90603983 -0.89441377 -3.7157574 -3.0965266 -2.7432122 1.0718665 2.9554896 -1.5636133 2.8010516 -0.9582265 3.2181363 -0.09918854 3.4509435 1.6327574 3.0783577 -1.1217958 0.7089362 -2.2576065 1.084471 -0.2823957 2.4972196 2.695446 3-(2-hydroxyphenyl)propanoate is a monocarboxylic acid anion that is obtained by removal of a proton from the carbosylic acid group of 3-(2-hydroxyphenyl)propanoic acid. It has a role as a bacterial xenobiotic metabolite, a fungal xenobiotic metabolite, a human xenobiotic metabolite and a plant metabolite. It derives from a propionate. It is a conjugate base of a 3-(2-hydroxyphenyl)propanoic acid. |
126456476 2.377284 2.314383 2.4775052 -1.4752966 -3.955271 -5.5226583 2.058902 3.7942054 0.40672314 5.058148 2.8917985 -1.2730867 -0.15705706 -1.54845 -1.1792613 -2.7992651 2.4354267 -0.7915739 -3.9692314 2.7695534 -6.334748 -4.9151735 -3.5989437 -4.7182994 -3.8690665 2.0270736 1.6927967 4.1755786 -2.2847416 -3.5762246 -4.047725 -2.4481034 2.043347 3.7318468 2.783998 2.3332913 2.0577734 3.8298442 -0.24978204 6.1165905 -3.9561894 -1.0662011 0.90180314 -0.78983283 -3.741109 2.8507874 3.1621308 -1.4638011 -3.3764868 -1.022332 5.6946087 -0.11816844 3.840571 2.9962196 4.6601458 1.8363004 1.7089906 -1.3147988 -2.3024926 -1.4665524 2.688958 -3.3470778 1.3971517 2.550115 -0.46794796 1.2767069 1.9893076 0.3951968 2.556588 -1.2653246 1.7709936 3.0753868 -5.801355 0.16805695 -1.9849243 -0.7356086 -2.5767608 -0.49237534 0.5726322 0.3940216 -1.1298766 -4.008324 -0.90168417 -0.5131424 1.0637879 -1.4538597 1.6004149 5.409133 0.72719 1.3360747 -1.4860662 0.79694796 0.027970124 0.97906667 -3.2868943 1.6247013 3.9080262 -1.1036713 0.2329545 0.37619716 3.7280023 1.2138599 -2.167249 -2.0765655 -3.5942898 -1.7116418 -1.0602453 0.5908803 2.8550103 4.1416745 -3.0623667 -0.9202872 -2.5583882 -0.32356828 2.242293 1.1906705 0.30028048 -1.8065886 2.1032124 1.134725 4.132692 -1.5117451 -5.399797 -1.8890431 -1.0583847 -2.9494536 3.791216 4.6118484 0.07467852 3.5485497 3.1159573 -0.82226586 -4.4686384 2.1986976 4.0938697 1.50081 3.890102 -0.11198433 7.526074 0.21440375 -1.2800764 0.23303585 0.26774824 4.7992992 5.6266117 -6.1956525 -0.8567918 5.197589 -1.0824971 1.6505901 2.1152134 -1.1060905 -5.0979733 -1.1573079 -0.5396886 2.5370061 4.0425715 3.2188206 3.856437 0.36656186 -4.154173 2.3072684 -3.5001554 -2.6755016 -0.45749488 -5.1005845 5.926211 3.0457606 -4.4324727 1.2682599 1.5792826 3.0722284 2.463481 1.121363 1.0859606 -2.3788612 6.0589614 4.221507 1.4471774 -1.7838674 3.0019274 -0.9476778 -3.0921261 0.48795205 0.8078406 -0.50784254 -2.026602 1.9969252 1.1266818 1.6281292 5.0880446 5.5614448 1.9749788 -0.23473218 -2.7878115 3.4813778 3.7299502 0.19498724 -1.5593659 -1.3667091 -6.061251 -2.2406876 4.1252456 5.240196 -0.54128027 -0.3946644 1.8508737 1.1104221 3.2688658 4.1360397 0.6675235 0.5919699 -0.22322464 0.0130293965 2.2655873 -0.686708 -4.3550954 -0.09512052 4.614089 1.8245759 -0.04831074 -0.8521568 -2.8400471 3.296199 -5.3692966 -3.592152 0.1780996 1.8888499 -1.6799817 -1.1548887 1.3157524 3.5545647 -2.2168965 0.4284941 0.64874566 0.08836429 4.290802 -2.27923 -0.7857976 -0.27083954 3.2392483 0.01740387 -2.1403205 -1.4758714 3.4018471 -1.5319256 0.023655944 1.8524133 -1.8816915 -0.8077506 4.6410937 2.3627632 0.38202325 2.1151235 -1.4518576 1.0831046 1.9769043 -3.4510016 -0.22707024 -0.41276366 1.3812808 -1.1866132 1.0167747 -1.0164304 1.0675492 -0.39299423 1.1961182 -1.6015657 3.3126426 -1.897088 -1.0782555 3.049963 5.6374836 2.320286 4.731298 0.8317399 0.26698193 -2.9689188 -3.5724802 -0.71182686 -1.3712629 -1.6484265 -4.5586457 -2.997653 3.1909568 -3.5408661 0.9006921 -2.1071358 1.3920773 0.48324442 7.565383 -0.52625954 3.2502742 -3.257956 -0.58016384 -4.132051 -1.3786572 3.7142766 6.1634316 1.881439 (R)-2-(phosphonomethyl)malate(3-) is a dicarboxylic acid anion obtained by deprotonation of the two carboxy and one of the phosphonate OH groups of (R)-2-(phosphonomethyl)malic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a dicarboxylic acid anion and an organophosphonate oxoanion. It is a conjugate base of a (R)-2-(phosphonomethyl)malic acid. |
6426042 -5.203162 4.0456605 0.089317665 -3.1608114 -0.7507036 -7.892341 -6.127948 -1.0746338 -3.33271 1.3634794 9.217469 -8.746427 1.2685546 10.698468 6.1120048 1.0008543 1.7344841 0.2227605 -12.6136265 7.0616713 -4.114267 -3.7896917 1.729324 -6.7092896 -0.54977685 -0.28190392 -1.5377301 8.912608 -1.7731462 -3.0892012 1.9176879 -3.5964603 3.0455623 4.4624414 1.276303 4.8244863 -0.3301822 3.1117542 -0.11446617 -1.2804887 -2.7540855 2.5599952 -0.6104565 -5.913865 1.469226 -4.971487 7.516114 -3.773509 1.0111239 7.030525 6.62901 -0.61363566 2.5276341 1.7245854 -1.110362 1.2129631 -3.492004 -1.8014022 -3.4904413 -2.2444847 -4.819432 -2.5443883 -1.0809835 5.182822 0.18953794 -2.4160075 1.8113202 -0.4066332 -0.85712487 3.314846 1.4961611 2.6520889 -0.33003622 1.9922785 -3.0996222 -2.1956384 -6.7776184 10.169992 6.295859 7.7962775 -0.45123097 -4.7228007 0.10201973 -0.12640247 1.5383399 -3.018468 0.27964798 -2.7976017 12.22989 -1.805708 -2.315019 -7.3404417 0.2063259 0.98112273 3.459549 3.9643908 1.5024955 0.893116 -5.0925603 -0.35170147 1.6334898 -5.5970306 -7.2136316 -4.5649447 4.0319395 1.8859241 -1.5780373 -4.095584 1.8748583 0.69132423 -4.0349965 -4.709248 -5.077719 -1.5678684 7.732035 -3.2894838 1.3166245 0.3913614 0.97882205 4.0001025 2.8374176 1.0766819 -6.433853 -0.9542459 7.102233 -7.878267 5.0388474 7.305036 -4.5121274 1.1861538 2.9453692 1.4771848 -8.9464855 0.66084725 8.31546 3.81604 -2.9479654 -3.3946223 5.337104 3.944708 -5.6073437 -0.56972456 -0.7327346 3.4207592 11.622552 -8.836329 -1.6687443 1.5605022 -5.2501445 3.3461268 7.672497 -3.259428 -13.830574 3.7225587 -1.9127564 4.490575 6.576765 1.6361893 1.5612209 -7.6925554 -3.5615635 -0.6260656 -2.0752769 -2.9321396 7.904954 -3.1718545 11.590492 4.7841625 -2.471038 -2.3672657 0.64263123 1.8078914 5.3236647 -1.7740566 2.17917 -1.5968163 6.159287 2.867509 -6.3200116 -0.67628074 3.8667853 -1.723511 -7.3518057 -1.990597 4.7483315 -1.4243811 -5.280352 3.2048469 0.9132652 2.39351 3.9349194 -0.27616373 1.0571735 -1.6595016 -4.8131833 0.697352 4.5162807 -1.8643647 0.05663216 -1.495221 3.0195177 -5.347802 4.670208 3.9018245 2.6201406 -0.8980708 -2.399787 -1.5699253 4.928485 3.1510088 -0.3557641 4.6826835 -0.3323894 -0.091544196 2.8598151 1.6386651 -3.0289204 6.39137 1.5004829 -3.2131035 4.466007 -7.386416 -4.29624 0.18707088 -9.1209755 -1.7896767 5.7786894 -0.6899254 -0.9368118 -2.1514685 4.207861 10.179793 0.43101382 -3.1445494 -1.3855205 -0.077664874 -2.4747605 1.7923416 -1.7228327 -2.3245385 0.44629586 -4.750687 -1.8031261 -1.2511357 2.843598 -1.1049911 0.96930975 -1.1396582 -3.6404467 2.6697562 0.9169114 6.5790086 4.77775 1.534632 -3.2523527 -1.3545463 1.49988 -5.7076044 0.34416205 -3.085908 -2.1647491 -5.014693 -4.003449 3.8955863 -5.009612 -0.2125017 -1.0823426 1.1253717 2.283774 2.7266572 2.3982813 -3.5035694 -1.8222724 6.624946 11.206054 -1.9300985 3.9275343 3.8447654 3.1617296 -0.41832995 -8.646954 -6.522404 -6.6777396 7.0185647 8.471832 -4.28905 3.483987 0.9966175 6.66372 -0.09412876 1.6902425 0.84505343 8.587914 -5.082345 2.1259315 -5.59211 -0.64750034 -1.8973 2.9497678 4.9942327 1,2-diguaiacylpropane-1,3-diol is a member of the class of propane-1,3-diols that is propane-1,3-diol substituted by 4-hydroxy-3-methoxyphenyl groups at positions 1 and 2 respectively. It has a role as a plant metabolite. It is a member of propane-1,3-diols and a member of guaiacols. |
45266852 -2.1904476 3.799332 -2.4360273 -0.7395058 1.2793734 -5.49958 -5.0141745 2.8498132 -3.2704623 1.6085567 2.6634262 -4.50182 0.91416806 2.7324805 2.7242792 -0.9880239 2.3072767 1.5196828 -8.809881 3.7038708 -3.9753876 -2.704626 -0.1713365 -5.933134 0.6075256 0.75029325 0.42481261 4.914254 -1.7205913 -3.9891589 -2.8445663 -2.275423 4.124616 3.0197103 0.5830189 4.2624693 1.6122184 2.916981 0.25545225 2.5317519 -2.3811204 0.004367426 0.47041368 -2.7920501 -3.045995 -0.75653434 4.3193483 -2.144691 -2.0111516 2.57679 3.7131817 0.8602489 4.240189 2.7686265 0.4329683 -0.6512377 -2.7321262 -4.273596 -3.5823631 -1.2423697 -0.45448095 0.20034933 0.85202867 1.1059203 -3.5606947 2.302735 -0.6801959 2.2820365 -0.8011649 1.9524546 1.1446201 5.0488586 -2.5273027 -1.2241127 -1.527969 -1.0764186 -2.9521575 1.4089799 4.74273 6.763646 1.3263947 -2.751579 -0.57483107 1.5304725 -0.6694608 -1.1347075 0.95800817 0.6637563 2.9403858 -0.038297217 -0.3008499 -1.7953669 0.32676053 2.1232648 0.05768904 1.5491302 -1.6034325 -1.2063682 -6.0262084 -0.8531203 -0.6857232 -1.6017523 -5.6344953 -3.1151907 3.3688445 -1.049823 1.5489229 -2.1622727 0.45584604 2.3944342 -0.008491546 -4.404105 -4.337543 -2.0896971 3.8448832 -3.4033668 5.5328484 2.616809 -0.5299454 5.697688 1.7896057 -3.1244593 -3.499522 -0.27776724 3.2305384 -3.3562722 4.4491844 3.9567835 0.79351044 3.4095914 6.3944125 -0.9435076 -6.6715484 4.3576546 6.167533 1.5188518 -1.6275369 -3.9548762 4.245248 5.4373007 -2.2379546 -0.6118109 0.36648327 4.0714507 6.7952714 -6.1093745 -1.9396962 2.118001 -5.683377 2.2338402 4.8535743 -1.2968675 -7.8158913 0.012472771 -0.1459009 -0.5540329 6.4811835 -0.14591643 1.2512027 -5.5004563 -2.339677 0.24709585 -2.5732744 -3.530711 3.434555 -5.2121058 7.354618 3.4288304 -2.7823014 -1.1811769 -2.9204748 0.0027635098 5.3694963 -1.7181665 2.9562197 -2.0481305 2.9787781 0.1841858 -3.3493733 -2.4669516 8.098525 -1.842269 -3.3162143 -1.7787176 5.287649 -0.45395833 -6.049933 2.0717816 -1.5591686 -0.28004736 8.222178 0.8687216 0.12553404 -1.2964157 -5.02144 0.057119697 3.4807048 -1.0694426 -1.4196802 -2.2026913 0.6350433 -7.822556 2.4544973 1.0844427 -0.6813035 1.0336705 1.5417273 -1.3640903 4.894623 2.287523 -2.188266 6.939951 3.18716 -0.12679061 6.827707 0.358427 -3.900989 0.5521777 -0.7081379 -1.9043576 2.0516343 -3.8123329 -4.0249834 -0.9554911 -6.0232134 1.1262712 2.21414 -2.6095824 1.7881044 -1.9878428 1.5261368 5.059003 -0.40189835 -0.5230877 -1.4635642 -0.15149596 0.554991 -0.08931708 -0.675548 0.64698553 1.9441309 -4.0639744 -2.8251767 0.9775838 -1.006994 -2.9046733 2.7363377 1.0374067 -3.2302737 2.3552756 3.9266677 3.5524886 1.2282447 0.032217816 -4.6133494 -0.4547355 3.8179462 -4.640227 1.8378903 -4.856889 -0.3649353 -3.6887882 -3.5331206 1.9100384 -5.064787 -0.4838734 0.77194536 1.1289428 0.9188918 1.1730103 0.57458085 -0.6778537 1.5510806 7.348699 6.916915 -3.400686 1.4632776 2.82712 -2.8255706 -1.6017232 -4.123093 -4.257274 -3.0159 2.4684353 1.5256999 -2.8052363 3.2249262 0.17987055 3.3705108 -1.6307127 3.5964317 0.69143265 2.8269582 -3.5259147 1.5637367 -1.0604639 1.7848432 2.193015 3.1582768 2.6732912 2-iminio-3-(7-chloroindol-3-yl)propionate is a zwitterion resulting from the transfer of a proton from the carboxy group to the nitrogen of the imino tautomer of 7-chloro-alpha,beta-didehydrotryptophan. It is a conjugate acid of a 2-imino-3-(7-chloroindol-3-yl)propionate(1-). It is a tautomer of a 7-chloro-alpha,beta-didehydrotryptophan. |
11335328 2.5109959 8.132373 -3.0514686 0.04210853 -2.210966 -6.7459993 -8.46081 0.019825906 -2.6299324 3.2938232 4.7481694 -3.8291295 0.6910504 12.254511 1.9406863 0.49686128 8.541968 2.125204 -7.236404 6.480273 -3.1630518 -0.1509349 -4.272821 -5.498034 -4.681406 -1.113902 1.2579422 10.283691 -1.6194998 -1.0220287 -1.5030421 -0.9971319 2.3305535 4.695637 7.194593 0.5764791 2.2726796 2.4209383 -2.186859 -2.9453652 -0.57173014 1.9293301 4.197467 -0.49676523 -1.1663857 -3.620899 4.2411757 -2.5405152 1.2154458 1.0896072 5.2792406 -4.1653414 2.8348365 1.0225854 -2.4363642 -0.7926024 -4.325395 -2.4541245 -4.6468077 -0.67756027 -0.6370027 1.1942466 -4.1770287 7.309748 -1.58355 -0.1368555 -2.740275 3.0779672 1.2175577 -3.0439937 -0.09433532 5.4025526 -1.7423091 -1.7920101 1.8120062 -2.667729 -7.490475 10.050695 6.260102 6.7119956 -0.13165912 -3.1848989 1.3909949 6.0462484 -2.3573139 -4.0565944 1.3291448 -5.20533 8.8032675 -5.8136477 -0.14961095 -2.2079878 0.68726516 1.2261069 -3.952415 2.9262316 -3.280999 -1.1538111 -4.775475 -1.8003181 0.59092766 -6.6595063 -7.7356925 -1.5879492 6.2803745 3.4368572 -0.012871578 -5.2238755 -1.7892698 3.517463 -1.9677349 -2.6259913 -1.4766654 -3.0697188 9.027933 -7.7683306 0.59408045 2.8506882 5.098859 6.171824 1.6734933 0.62188464 -4.6497855 -0.74656075 9.006273 -9.698223 8.977635 3.7038598 -1.8927647 3.7455845 4.7958493 -1.2742331 -9.372575 3.2670512 9.630688 1.5149105 2.2208107 -2.0533464 1.7788254 8.01282 -1.2701318 -0.59952956 2.381096 5.947323 6.3495126 -1.1020105 -2.737643 5.101725 -5.1755276 1.9637104 3.0929344 -0.7894455 -11.743095 0.5670763 0.78827417 -2.5072365 3.335927 1.581924 3.6487331 -7.5428567 -6.726319 2.826985 -4.1819615 -3.5375135 -1.5471786 -3.9968238 8.804643 4.6687512 -3.0363388 -2.7298298 -4.480489 1.0400062 4.9447823 -0.9266019 1.0196805 -0.9268694 0.65496516 3.1921048 -0.7942822 4.0780463 4.0295167 0.79125154 -5.3091416 -2.717337 4.647616 -5.028341 -4.5769567 -1.0620941 0.3227334 1.2222308 8.172075 1.6129596 1.4168618 -3.2570953 -3.4210777 3.866228 5.592221 -2.758073 0.717184 3.0269384 6.2854886 -5.0101857 3.1121933 1.3896558 4.8947654 3.4727192 1.5321538 -3.3440573 4.4474874 2.5623293 0.87703305 4.371381 1.0882804 -1.5714653 4.864858 2.2778354 3.0905478 -1.9482925 -3.6018658 -2.0627959 3.3061814 -7.4036264 -2.3158526 -3.020395 -5.462161 -2.3700864 0.44888654 -5.605143 0.39537066 0.015666582 2.061148 2.001851 5.384947 0.72024906 -0.28308794 0.43455797 -0.6116636 0.3462001 -0.9899887 -2.6107042 -1.2001704 -8.195744 -4.2385874 -1.0133345 -2.6345265 -1.2766188 1.0241611 2.4697733 -1.8730198 1.0202225 3.7847004 4.506185 1.7780211 0.24860539 -0.5693377 1.2064917 5.0687547 -7.3720613 -0.9415316 -3.3094091 -2.4307883 -1.4583788 -7.403804 -0.7807677 -10.144974 -0.6904745 0.25243145 -0.19179973 3.3505232 3.6972198 -0.025131602 -3.120111 -0.2026563 7.7124834 6.177476 -2.2837775 3.1462452 2.0286605 -2.3082025 -5.9175982 -10.711756 -3.8300743 -6.1182513 3.697354 -0.08492352 -4.987147 -1.7989511 -0.7861106 6.194191 0.98107225 -0.18833943 0.39885065 8.857729 -1.2722269 1.6213233 -3.048142 1.885163 -1.464317 1.3417097 3.8274164 16-epivellosimine is an indole alkaloid that is vellosimine in which the carbon bearing the aldehyde function has been epimerised. It has a role as a plant metabolite. It is an aldehyde, an indole alkaloid and an organic heteropentacyclic compound. It derives from a hydride of a sarpagan. |
86289146 7.35949 21.924782 5.434943 -11.89747 1.816669 -23.732147 -5.9285545 9.739764 -6.069456 12.390125 19.199955 -16.485783 1.0486252 3.492964 1.278808 -6.9004436 7.8702173 9.740127 -34.447388 9.616398 -11.754452 -12.734132 -5.1576195 -23.245413 -14.896801 13.421559 2.5253322 23.424778 -10.663095 -13.5110235 1.3892568 -9.09698 -3.5209322 14.793304 30.328562 12.304414 -5.4775662 28.828527 -1.8156958 10.785051 -8.512108 -14.649039 -6.844371 -8.687463 -23.90403 2.9695866 -1.7366948 8.126654 -4.847459 19.13277 23.107817 7.9831257 18.179928 12.130167 18.42375 -14.394116 -1.7921985 2.7755365 -5.2483644 -10.547775 1.6078513 -25.39046 3.7436082 31.632877 5.272746 3.4325094 2.853708 -0.33417284 11.297997 -12.528213 3.4476888 0.612953 -18.130503 12.967781 -2.3092499 2.7896116 -15.374312 21.350994 5.958157 6.693483 -14.178815 -6.22088 0.063592575 17.392078 4.229788 -1.174656 11.2674265 6.4928303 28.511484 -17.730812 4.0817423 7.465542 14.851796 -3.0327098 -3.8992538 -3.4666607 12.06654 -0.9669704 12.296548 9.48765 17.24124 8.935953 -18.670444 -3.4830108 -14.163546 9.498733 2.9633315 1.8781581 10.320373 21.08375 -14.987312 7.56637 -17.641773 -5.2972593 8.345697 -1.5023508 -11.693364 12.0273905 19.041649 20.432129 30.978567 5.319562 -15.876418 -1.3678493 15.595259 -42.245712 26.448112 30.215559 -8.258229 24.189154 22.628082 -10.560272 -15.556509 16.383408 30.138296 -4.7902613 14.347737 1.8471937 33.440506 12.628522 -12.516383 1.2656887 2.8566494 10.626773 33.066032 -34.883278 -12.060946 31.654804 -24.60107 3.2277203 11.850072 1.5695388 -24.896055 5.212321 -9.130214 10.850504 19.827063 27.1227 40.69422 -8.635479 -29.847155 9.023428 -16.618143 -12.221944 19.07136 -1.3749254 26.535252 22.178017 -16.989643 12.191209 13.174553 24.096308 2.7991045 2.9760215 -4.371686 0.8139764 34.055897 13.2456455 -18.506336 -16.98872 -3.8660934 4.4721646 -14.263609 1.3796369 16.892721 5.4921656 -0.7512578 -4.762472 10.647135 12.962951 7.845966 29.605015 2.4343536 -1.6935319 1.5683281 10.308901 9.899948 11.949977 6.861093 4.4469213 -11.178845 -1.6572205 11.880085 11.13724 10.580784 -9.335266 0.91514266 -1.9123539 5.422166 7.9918437 -6.871111 0.5162612 7.7280645 -18.215405 0.12818977 -0.061066642 -8.237826 -5.2548018 23.251047 -10.144162 -11.485283 11.641643 -12.14867 14.70553 -36.11783 -0.2618544 -17.939642 0.67849994 -8.947744 12.149235 7.5756655 7.9437814 -7.879109 -9.25755 1.1811805 1.3755839 30.903872 -4.4517155 -18.213118 -7.2159624 -4.6336865 -3.649192 4.974965 -6.2601576 10.3873825 7.0659423 -1.2171532 -6.3126035 -6.453347 17.193258 15.862575 0.64132035 -5.0481963 5.360595 9.798585 -1.7847118 13.230279 -21.443892 -17.505432 -4.940315 2.1737971 -12.849573 -1.9371271 -9.373812 13.490673 -1.3684145 9.844031 -9.990652 18.701618 -8.623071 -10.210804 -2.9169567 4.1712313 -0.23519012 9.6418915 33.784958 -8.268923 -13.664602 18.328852 -5.110563 -6.4898753 -0.7321741 -10.031257 -1.7565708 20.649593 5.5524263 3.427486 -12.285537 16.205372 11.684086 14.621063 -1.7053298 20.376955 -3.4184318 10.444497 -16.329088 4.8101454 -0.1454961 10.399241 10.580319 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate is a 1-phosphatidyl-1D-myo-inositol 5-phosphate in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and arachidonoyl respectively. It derives from an octadecanoic acid and an arachidonic acid. It is a conjugate acid of a 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate(3-). |
7010542 0.47551492 2.7884853 1.983839 -7.049314 -1.6284869 -8.431001 -0.94042647 4.522107 -2.6942725 2.6487138 4.108005 -6.330541 -0.15989378 -5.0110745 -3.638841 -5.8431087 -2.8737667 -0.38694015 -4.1120462 1.3075428 -7.553453 -6.497106 -5.149167 -6.493267 -1.2156459 4.29999 4.171482 2.3539793 -2.5476868 -6.9115586 -2.0650353 -6.9205117 0.41808742 5.3341575 3.4773972 2.0900507 -1.7887332 4.2525134 1.6412888 9.405024 -3.5060291 -3.9233618 -0.23499219 -0.63687754 -7.4522533 1.8882862 -1.1139228 2.8082566 -4.377445 4.6094103 6.4615498 0.9020624 2.7667153 4.5354657 4.4505134 -0.6155004 3.5094495 -1.3076065 -1.977318 -0.56519675 0.8633565 -2.2001576 3.1618576 1.8463792 -3.8392806 3.8847396 3.978115 0.69617045 2.0484312 -0.03694828 2.140135 4.6813 -6.08509 -1.0898408 -5.221311 -1.2566462 -3.7847233 -1.3901827 -0.47739485 5.300914 -5.457897 -6.0749245 -3.3486018 3.1399508 4.037016 -2.8690224 0.6125381 6.1165543 0.78577346 2.69995 -1.1010479 2.8782332 -1.5778008 2.9530554 -3.5594256 1.4219098 1.45067 -1.5555567 -3.5782285 0.37328076 2.5468473 1.4697622 -4.4663043 -3.8478673 -2.321733 -2.026974 -0.71593505 -2.3072994 -0.28889596 4.259468 -3.6645896 -2.449019 -4.2398314 2.084037 3.4146223 -1.3461751 3.283042 1.2026322 3.4124243 3.9549239 4.9525056 -1.5876124 -4.149433 -1.6321741 0.8628525 -5.0007343 7.3212743 8.762852 0.4353353 0.75602466 7.9958005 -0.2898134 -4.6306767 4.3042283 3.593169 -0.29847175 -0.12055087 -0.9768615 10.989197 -1.2589607 -0.5032079 -1.9729309 2.5717466 7.4435787 7.192701 -6.6993685 0.17880346 4.596845 -3.2670162 0.9901175 0.7238166 1.6230478 -5.6819477 -1.1278822 0.790361 -0.4514934 7.0369306 3.0659313 5.6725955 -1.0232593 -9.0592985 1.8902752 -1.4113804 -6.4002743 2.1354446 -7.784655 6.563696 3.1249855 -6.417238 2.8615887 -0.9218641 4.448416 0.7619792 0.09159837 1.1187935 -3.6220903 7.9412713 6.000515 -4.7259827 -10.681782 6.714859 -0.24365951 -4.6103444 2.8810196 3.230651 0.61849767 -4.066351 1.8039799 3.1899164 5.79405 7.4247427 8.886784 0.29858005 -2.6918843 -6.4982066 1.4568968 2.0820694 3.9237509 1.691602 -1.1567342 -6.9077654 -1.5379033 1.9365407 5.0974193 -1.3524774 -2.6981359 4.057237 3.0209763 3.2608855 4.5970035 -0.8131431 -0.2348027 -0.34809825 -1.8932256 3.569161 0.98890424 -6.760191 -2.225582 3.4986587 1.3232858 1.2060658 3.721383 -4.791553 2.4710345 -9.260383 0.18411833 -1.3139012 0.3675725 -6.5378613 4.1820827 -1.1139972 2.4881485 -6.9050245 -3.2806945 3.8909426 1.3564328 6.4528804 -1.5371749 0.23704712 1.4666783 4.378931 1.2730983 -2.3022113 -1.8479564 2.0916526 -4.476317 -0.43333903 2.1841714 -3.9720235 2.8794038 6.8814 2.0144105 -1.5674825 4.3392367 -1.8555413 1.2072623 6.4750657 -5.373985 2.2221475 -2.936689 2.370601 -5.3537254 1.2235905 -0.15585598 2.3124645 2.3051906 2.0698621 2.4217312 7.3930483 -3.314048 -3.5549955 1.7235724 5.468224 5.583325 5.5937376 0.046115443 1.2159061 -0.28780288 -3.3697097 -2.3803606 -3.877297 -0.07841928 -2.3129957 -1.7451433 5.8617244 -0.35052723 -0.045886017 0.2241303 3.5506496 -1.4612625 11.104794 0.7154094 3.6493967 -3.0024548 -1.0313013 -5.8687387 1.0671057 0.44466826 5.941559 3.1397016 Gamma-Glu-Gln(1-) is a peptide anion that is the conjugate base of gamma-Glu-Gln, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a gamma-Glu-Gln. |
12592 3.4372811 2.6365986 1.8400059 -7.2087245 3.6525464 -2.9664524 -2.8734393 6.3200803 -7.1443615 3.4512107 6.030609 -9.7805395 1.5957069 -4.04195 -2.4803722 -4.3850827 -3.0053513 6.364706 -8.523773 -2.41607 -5.7116756 -3.0653794 1.6408527 -14.655322 -1.5963783 8.956586 -0.36579287 8.1190405 -6.4491634 -4.9509506 1.8231682 -5.1185923 -1.0289099 5.77421 6.355762 6.053741 -6.660222 15.806337 -2.7133377 8.025069 -2.5456653 -11.326916 -0.38464272 -2.045119 -10.17715 -0.7108526 -3.359367 3.217928 0.4563261 6.8279285 6.9798427 4.2983136 5.9640026 6.215535 4.194477 -8.893333 2.3060794 -2.5127487 1.2688539 -3.0737047 -2.7550833 -12.342938 0.78169 14.355158 9.002607 0.37551397 -2.5393791 -2.1046803 2.8160088 -2.3748026 -1.3822916 -4.620715 -4.1661115 7.026147 -1.5208056 0.7779733 0.9617586 6.3195996 0.8817139 0.15539172 -7.1833105 -1.2308934 1.0109409 8.192788 2.010971 0.042972606 4.178576 2.302421 13.066506 -6.754937 3.7243204 8.56791 6.303706 -2.3862069 1.5460494 -1.4447042 1.2946123 -0.024219627 7.354457 9.652884 5.736712 5.8862915 -4.7639656 0.7104934 -10.188681 7.3123903 3.2909381 2.5620093 3.9847856 10.260262 -4.817311 8.021044 -8.170457 -2.22464 1.3071997 -1.1584164 -1.0159158 4.2825747 7.149518 10.265764 12.93752 4.9154387 -7.966386 -0.7224623 3.7459915 -15.408557 6.298229 10.385982 2.8514805 6.324972 12.859427 -8.852923 -3.8523588 4.476741 6.4108887 -2.784142 6.3997836 3.9051542 13.226162 -1.4586825 -8.173328 1.9792511 0.032409936 4.4722085 11.301324 -15.461057 -6.2524347 11.790488 -8.326821 1.9178802 3.310403 -0.15913717 -6.235573 3.5721207 -7.030232 4.0564113 5.676619 11.169569 15.309907 0.119699866 -9.386651 2.204057 -6.894044 -8.088658 8.93011 2.6021593 5.0661983 10.793061 -4.3835135 8.281938 4.8761754 10.062317 -2.522708 1.3266375 -3.028187 -0.5262418 14.126005 4.822301 -14.372423 -14.894777 0.93742186 2.3058186 -4.2118187 1.2892618 8.268007 5.1294374 -2.077915 0.43200845 6.075369 10.332724 1.3104852 13.585551 -4.502997 -0.045797363 -0.5687386 1.4014384 -0.22406399 7.8690147 6.437734 2.2898083 -7.2818427 -1.3684144 3.2860384 3.3501062 1.5264013 -9.3685 0.77203864 0.16753308 -0.85662365 0.35598576 -5.833086 -1.4347721 6.9977355 -10.694666 0.20156384 -1.4831338 -8.171029 -1.9451835 8.670274 -4.640818 -4.3959026 6.0806694 -5.5302014 4.692382 -20.090488 2.7167616 -5.57412 -1.1156199 -7.499941 8.440073 -0.7603721 1.7013581 -6.097967 -4.750594 0.2958968 0.89191395 12.157376 0.91730547 -4.018861 2.4227562 -1.6289046 -4.272396 4.753533 -2.1424112 3.153327 4.8079195 4.2892504 -3.2089767 -4.5975966 8.275611 5.632432 -2.0401833 -1.6329374 2.2919087 1.7439028 -3.4299304 5.6650705 -8.059144 -8.475532 -5.385782 1.478847 -5.3883924 -1.3263432 -5.4165773 6.6341906 -0.33204347 0.18287027 -9.095154 8.621871 -2.2671542 -5.954543 -5.8525944 1.149255 2.4727166 -1.1235052 11.371494 -4.969455 -4.422154 9.302499 -5.324996 -5.847232 -2.281866 -3.8429716 -2.9798732 9.224025 5.184234 2.4414976 -0.6379623 6.394095 6.8104153 8.811119 3.4768572 5.963772 0.52929854 4.187578 -8.208499 6.9552917 -0.73870707 4.003334 5.9561653 Tetracosane is a straight-chain alkane containing 24 carbon atoms. It has a role as a plant metabolite and a volatile oil component. |
46173949 0.31580174 8.200083 -1.4634594 2.1597943 0.17467885 -13.75005 -2.5833135 -1.047376 4.8835263 4.3129396 -0.5775075 -4.6043224 -7.8613753 5.9655633 1.6325009 0.7488119 5.047634 -4.7379518 -18.833977 8.851449 -4.164588 -10.943917 -7.6271095 -2.2416537 -8.411393 4.8874407 0.3373446 5.2882886 1.3368957 -3.3443713 1.6248188 -0.33552557 2.941928 8.70924 15.417975 -1.5500901 -5.593943 5.945812 -0.203294 -0.4843918 -8.670049 2.0456688 0.25154525 2.3006597 -3.5243218 -0.09945884 -1.7481054 3.4964783 -2.2993474 13.401854 4.402379 -3.3315473 6.3376117 -0.8044237 9.019 1.8680936 -4.7401695 6.540936 -3.7858024 -3.1072478 2.3094046 -4.3839426 1.1278828 7.104085 -5.746362 -0.34184718 2.6901026 5.887394 -1.7892911 -5.6856804 1.5311285 6.1343637 -8.556303 1.2422142 0.8196927 -4.7890186 -10.952309 9.714613 1.4735807 3.9782994 -8.300519 -6.1576285 -2.5938199 5.018525 3.410325 -3.802015 4.651077 -0.77924705 7.2697067 -4.0209465 -0.2208322 -1.0254599 -2.0100467 2.4113393 -3.4688327 -2.6991987 4.0409093 -0.2649635 -0.120365 -3.031207 9.263737 -1.2372534 -9.413511 0.17976244 9.529672 2.0894432 -0.14015043 0.5190879 0.24113332 2.9674864 -5.8165627 3.0567207 2.249085 -0.8252033 12.38809 -8.062793 -0.7313072 4.823164 7.4529366 6.01132 5.1570144 0.76549166 -10.282656 -1.4334756 3.5976694 -13.271739 13.729357 4.793735 -11.228503 4.2693853 2.2184267 2.1207206 -7.9862103 10.795162 16.29116 1.0989221 4.943938 -2.9098747 7.702945 8.564615 -2.2801511 -0.5549399 2.8688128 2.6945863 13.6354 -1.4432912 -7.3543406 13.49484 -9.046949 1.5748463 7.0597053 3.418086 -3.8193004 1.1464818 -0.82931983 4.6531153 14.486045 5.655724 10.542135 -4.1280694 -11.879992 0.68341917 -5.254521 0.82677794 2.6201866 -2.5526526 19.126678 5.411067 -6.3027134 -2.9811552 3.966229 7.055066 5.457831 -2.825684 -0.55645597 1.5666102 6.169682 6.3949065 -1.2266223 -1.2529719 -8.913055 1.2548383 -7.339029 -2.5767884 2.5764358 -2.5799835 3.7623818 -9.6683 4.650268 -1.4986644 4.2915645 3.6787374 2.3820512 3.4956698 -0.8433804 6.866831 1.2052073 0.7222165 1.9749413 1.697239 0.70861113 -2.5994303 4.7859683 6.969137 6.1563473 0.24676135 -1.6801656 0.8747642 0.906356 5.015944 1.7469547 0.2536378 -4.619839 -2.5942326 -2.3787696 5.6423182 1.3414367 -0.31198835 1.3678335 -4.7012396 -1.1409622 -3.7582684 0.7786287 7.144633 -2.9751441 -8.344502 -9.76269 -2.125728 2.0743742 4.2282047 0.012515258 1.591475 2.727105 3.8792615 -1.6993544 2.3981495 7.893591 -0.93858504 -6.8133044 -4.535507 -4.314304 -3.415197 -1.14404 0.7707304 3.637741 0.749472 -1.2993256 -4.128811 -1.0163312 -2.210141 2.1094036 1.0482806 -4.2772217 7.547478 5.7952065 7.1926336 0.55322266 -12.680762 -1.9371887 3.6566887 -5.662703 -2.3946583 0.043002427 -2.7179656 2.2195187 -3.2216125 7.488018 4.6302166 6.6788645 0.49936843 -1.201358 0.5790713 -0.49956292 -2.1404448 8.965176 7.9810343 0.30540308 -4.961791 4.5122833 4.087605 1.3974242 -5.208736 2.4249735 0.60696816 4.91777 -7.9866266 -4.9910774 -1.8345172 5.834356 2.4629085 1.2107992 -7.513691 11.911303 -0.2374201 1.5327991 -9.9951725 0.39398995 -2.846733 3.201381 1.7157838 6'-oxoparomamine is an aldehyde resulting from the oxidation of the primary hydroxy group of paromamine to the corresponding aldehyde. It is an aminoglycoside, a primary amino compound, a triamine and an aldehyde. It derives from a paromamine. It is a conjugate base of a 6'-oxoparomamine(3+). |
70678605 -2.0082805 5.481322 2.4017665 -1.0857893 -0.65101284 -20.779251 2.130384 1.4419358 10.514133 4.8172154 2.2716434 -5.1592445 -8.139563 3.978942 4.6295195 -4.8355 1.9844878 -7.390935 -20.488901 10.210611 -8.41888 -14.105687 -9.854068 -6.0273347 -7.115739 1.5463556 2.9527042 6.0499077 -1.2718002 -5.2234344 -0.6062501 -2.977883 2.3696928 9.676646 13.596147 1.6965909 -4.5865936 9.483216 2.1312678 0.78701013 -9.108102 4.4707875 -0.3844837 2.273345 -4.0460916 0.47694004 1.3931996 3.4472625 -4.0284843 17.851246 8.237751 -1.9681389 10.429657 4.4007444 12.965169 1.5262854 -4.7853885 7.9222217 -4.5666714 -2.0356846 5.971066 -5.457708 -0.032772176 3.2851954 -8.185766 1.7271237 5.670493 3.917703 0.7911109 -6.1197004 2.8899238 2.91351 -9.7550335 1.9979854 -2.2290728 -7.5987926 -17.818254 10.065752 1.9982502 4.7175612 -7.981517 -9.3120365 -6.017148 3.1373837 4.3941402 -3.2306523 4.3346252 4.8323293 6.9160924 -1.29569 -1.5828629 0.120185204 -3.0117009 5.628474 -3.5279062 -2.5784364 11.528388 -0.06289605 -0.5376541 -2.8053885 6.1568246 -1.3201104 -13.421975 0.19528863 6.959848 2.428153 -2.6947815 -2.6289206 1.7955687 4.358751 -10.572313 4.712225 3.0528524 -1.6978256 13.074664 -6.5340796 -1.8050013 4.874997 8.533764 9.24143 10.202531 0.7746432 -10.292135 -7.148127 7.236291 -16.468374 16.440308 6.9999027 -9.625454 7.489018 1.2718778 2.7834885 -10.823379 14.749547 17.574732 3.8782935 7.5500407 -3.8405044 14.574505 11.932517 -6.312127 -1.0904658 2.184272 3.84421 20.910288 -6.687157 -6.44884 14.62985 -8.533979 0.304765 7.885637 1.9309101 -6.316579 0.14666362 1.6837234 4.7601604 15.709079 6.1217065 15.792318 -3.2261145 -16.949379 1.4617761 -8.958347 0.74981177 4.8769307 -5.3789153 23.60918 6.900209 -12.437172 -0.6000929 8.936257 10.175267 8.122787 -0.92662334 -2.4074194 0.8379785 13.441106 13.472873 -1.5522134 -2.000756 -7.4720273 5.197058 -10.353622 0.21206895 0.7575532 -2.0323386 1.3991811 -5.645807 3.3399923 0.1358037 8.245941 6.9397607 4.394327 7.107728 -1.2241235 3.840463 4.2878647 1.8292279 0.50732756 0.58618265 -2.9820907 -4.758984 6.708004 13.989604 4.6307755 1.0519301 -0.14087111 1.3276308 1.0851259 8.863367 -0.58143675 -2.5679839 -7.0850515 -1.7538126 -2.2190092 6.709986 -2.425619 -2.5914946 2.7207105 -4.0035515 -2.640168 -0.89414084 -4.237767 8.498342 -3.7360768 -9.745308 -6.705835 3.7416499 3.2779431 4.233715 -0.2022162 5.616574 1.6023102 1.8090768 -0.954532 1.5721393 9.972458 -1.4829146 -11.82495 -5.4770756 -1.3302057 -2.005125 -1.9912288 -2.1040542 6.06015 1.4866204 4.774709 -5.9042397 -3.4242601 -2.8699422 3.3821568 4.181426 -4.556027 5.514664 2.6697528 7.7509165 0.9556516 -13.421152 -3.7905645 2.6086898 -3.958961 -5.6935015 3.170535 -0.37753317 0.8053189 -3.8949773 4.7384686 6.4477654 8.829262 0.07915562 1.0038545 -0.03666929 3.6576297 5.4528623 14.614921 10.446054 0.2722205 -6.5422835 6.690337 4.4926085 -1.9433632 -3.36945 0.51409054 1.5221286 11.008484 -9.63642 -2.403985 -4.0033226 11.791511 3.4171548 9.587674 -7.0073104 15.958532 -2.695821 2.5880094 -14.13329 -3.701923 -3.6330626 9.853248 4.024987 Chondroitin 6'-sulfate anion is a polysaccharide acid oxoanion arising from global deprotonation of the carboxylic and sulfonic acid groups of the repeating units in chondroitin 6'-sulfate; major species at pH 7.3. It derives from a chondroitin D-glucuronate anion. It is a conjugate base of a chondroitin 6'-sulfate. |
122198279 6.283363 10.274499 5.6919203 -15.324238 -2.4004557 -15.153698 -6.1252565 8.919133 -11.955863 8.419318 14.734883 -12.186335 5.2489705 -4.2342587 -2.2965717 -12.16277 -0.34809917 4.5074916 -15.904543 5.45455 -13.384377 -12.042137 -7.8747625 -18.342234 -6.247376 10.654751 11.298377 12.901505 -8.289518 -14.918945 -3.9522254 -11.97378 -2.558095 12.359583 14.029421 10.373562 -1.8661883 13.5042715 0.89955664 16.24212 -3.8226085 -11.859916 0.8342593 0.7339357 -15.3831415 5.893718 -0.96048546 3.019865 -7.4156046 6.3666186 15.756281 6.338647 7.853395 11.058386 6.8205986 -5.70949 5.3331747 -0.527508 -0.03754759 -5.223466 0.24971527 -10.786149 3.544919 12.428991 -0.44027346 4.5216455 5.726213 -0.8180027 5.439164 -6.535467 7.2883086 4.910235 -11.844294 0.8103862 -9.254908 1.25788 -8.829737 2.9777777 0.4930646 7.8631835 -11.718216 -6.601373 -1.5981656 12.290415 5.642351 -5.1154394 -1.6948079 7.2361593 9.898099 -1.399776 1.9789133 6.931331 4.610689 3.295055 -3.9763904 2.9156277 0.8499563 -1.6421244 -3.2404087 4.8303103 8.097436 4.530098 -9.184889 -6.447699 -8.574622 2.4275215 -3.6292212 0.408687 2.714362 11.285731 -9.336989 -2.869225 -15.100623 -2.0895348 1.7770714 -1.9661621 -3.0379786 6.9242554 8.526794 13.605757 17.00603 -1.6366175 -3.8761964 -0.9081614 7.0092654 -19.851658 15.905109 18.240023 -2.269848 7.3393507 17.375397 -4.5146484 -8.71473 7.9096947 10.811013 -6.361628 1.2292612 -1.1734562 24.187141 0.7358128 -3.2969556 -1.1244894 6.739014 14.042863 16.91873 -21.33346 -3.220991 12.749145 -9.004353 -0.18749681 0.33474228 0.09464027 -13.198653 2.9821646 0.162162 -1.9650264 7.234569 11.896014 17.440432 -2.806389 -19.82481 8.509144 -3.4799805 -12.543461 9.980565 -9.139674 11.102528 12.306645 -9.495201 8.50086 -2.4170876 13.373511 -0.38085413 2.2258527 -2.2377715 -1.0287738 21.60443 10.470237 -12.048476 -19.201006 10.873754 1.2033316 -11.025987 4.2429085 9.214394 5.1822824 -8.769057 0.93890196 6.3876386 12.86169 10.772645 20.357416 -0.12194297 -6.6464987 -4.394202 5.95088 6.9906344 7.21237 7.608296 -1.2264929 -7.3844557 -0.51721716 4.4560814 6.446233 0.20627591 -7.8471437 5.291215 -0.51032656 7.6502852 2.4379244 -2.1215825 1.7054387 6.220824 -7.844966 6.958664 -1.2506452 -10.6853 -6.900424 9.459257 -1.1385846 -0.8619039 12.392428 -8.413532 6.60009 -23.224415 3.374102 -6.084055 1.3969158 -11.635819 10.036679 0.5990873 5.270619 -8.814824 -7.709958 7.7976537 -1.7640705 11.736147 -4.918323 -5.114238 -3.5771801 3.190269 -1.7280895 -0.22565648 -7.7094355 5.199355 1.106279 -2.0995972 0.19966215 -10.062009 10.607232 15.061747 4.702051 -0.03126266 6.394253 -1.2342716 -4.9413633 15.86742 -7.422776 -5.2597547 -7.421817 7.802904 -12.228142 -1.9204366 -4.571383 4.5281525 5.720672 10.03077 -0.19011061 16.889051 -6.1122766 -6.7620277 -1.2461724 7.6946297 9.1065645 8.182315 8.803913 0.42689395 1.2731712 1.119466 -6.234242 -11.242915 5.025965 -6.425483 0.29950026 15.169489 6.2828884 0.6814487 0.109617785 11.437703 4.6034904 20.97783 4.688662 8.406109 -4.789532 0.26479754 -9.867924 1.8479953 3.377383 11.59842 5.5697393 Leukotriene C3(2-) is a leukotriene anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of leukotriene C3; major species at pH 7.3. It is a leukotriene anion, a peptide anion and a tricarboxylic acid dianion. It is a conjugate base of a leukotriene C3. |
71768110 69.66218 174.76125 -25.233517 1.5307269 45.625885 -192.51917 -54.786537 128.52919 117.095604 67.136024 87.722244 -132.93008 -20.927197 188.41292 36.102604 -23.95247 66.6208 1.4752905 -280.18878 131.61188 -103.27217 -106.91557 -162.53175 -57.07834 -120.32677 -2.3508828 -34.53129 128.56357 -12.874568 -114.76518 17.943634 36.121437 41.954185 80.80964 166.35687 8.478405 30.753172 97.68491 1.043148 -82.594505 -66.30862 70.378075 -11.791985 -53.81467 -107.107605 -9.8715725 45.98392 3.9300778 23.0162 46.31063 126.28796 -69.62185 61.480137 77.62679 93.81095 -63.963795 -33.14258 -59.654842 -109.01745 -64.319595 26.72654 -30.711235 51.87925 107.40342 -76.402794 -9.527895 11.201387 55.219078 47.27171 7.638619 9.507443 28.70151 -135.79889 45.298058 -10.427807 20.419834 -148.09836 131.5548 64.51405 69.576614 -48.7605 -95.779495 47.132782 62.725826 -45.42891 -13.944523 129.18794 34.499493 111.26743 -119.29482 -38.996243 -31.21555 39.99171 1.3649172 -67.27089 9.094039 91.634476 -44.839886 15.750467 -29.66982 24.4605 4.6496263 -144.4788 -14.437279 78.88378 -10.047425 63.11143 -54.592175 17.773054 141.64978 -103.10904 -20.11462 -32.37281 -28.423298 165.52109 -42.722893 2.370578 -3.2784207 141.80092 79.951614 129.55934 -20.607306 -241.05591 -17.855076 125.77223 -154.15219 233.51962 84.281624 -26.09156 133.47209 69.48072 34.837997 -171.81897 156.01547 251.0189 22.665205 110.08009 7.2835717 133.17715 173.93196 36.37184 -40.43476 22.49551 91.874855 214.77634 -57.002422 -54.192135 218.76825 -164.24916 25.920565 147.2734 19.898687 -237.78864 -23.39929 -47.340065 56.517498 180.00372 143.06627 126.62753 -93.34252 -89.140945 -36.106735 -234.20126 -35.212963 26.106865 -120.12571 282.7051 83.63194 -90.7326 -42.461956 59.535072 -2.5018594 132.75868 -74.64439 25.829624 -38.065853 128.70937 32.230953 77.30822 79.24646 -22.927471 10.599766 -15.474056 -44.315678 120.78231 -40.0945 -0.6968084 -49.967846 11.12614 -68.08692 138.72154 19.576254 2.5041776 -25.811289 -55.790863 75.95289 -25.82421 -74.66353 -49.604397 4.648487 -6.3698053 -87.274376 79.64807 105.37207 91.61246 62.436348 24.929585 -98.68636 82.09841 95.83471 56.649616 49.29526 -29.102827 103.82568 -14.14983 102.45572 39.12607 76.64135 19.619257 -59.634922 -38.099495 -208.5541 -63.830917 28.916073 -98.763145 -116.76105 -52.39899 -68.436295 54.574833 -69.05991 9.743974 87.98294 9.72636 12.22322 -44.22094 16.624088 126.48002 -10.000668 -16.454973 -53.733788 29.665577 -98.78241 -67.415764 -9.366136 59.999073 -31.78683 29.383669 -64.04141 -15.221062 -33.70354 77.443146 72.34699 56.1548 -6.0482435 5.5181923 113.5216 -18.014399 -192.07312 -54.53369 -29.717249 -55.912315 -31.290262 -48.502064 39.35958 -2.519624 -54.13998 18.921787 12.374506 1.4145617 12.669799 24.136797 69.51044 72.3431 -64.77378 186.9549 33.95777 53.672077 -106.07087 -9.265526 25.298985 46.104065 -109.64553 -45.176678 19.208662 39.58469 -142.99625 -20.10068 -77.60906 42.53724 -57.872643 6.132737 -64.17949 155.33029 -56.557373 14.07187 -102.89432 -49.632847 28.31997 -8.50072 52.01604 5'-CTGCAGAATTCTGGTACCA-3' is a single-stranded DNA oligonucleotide comprised of five deoxyadenosine, five deoxycytidine, five thymidine and four deoxyguanidine residues connected by 3'->5' phosphodiester linkages in the sequence CTGCAGAATTCTGGTACCA. |
71768138 4.3142366 12.120349 5.461423 -14.997708 4.632448 -21.894054 -6.169394 11.466167 -6.339184 8.84813 14.021684 -19.116041 -2.5789225 -1.811677 1.0230975 -10.405399 -2.787493 7.0212054 -30.974264 5.310288 -16.88328 -14.598295 -4.216189 -28.627712 -10.694758 15.480217 3.5807965 18.94735 -13.525334 -11.525948 2.6325457 -11.012296 -2.0084813 16.556393 20.801687 13.197212 -12.499281 30.716175 -6.0695105 13.31682 -8.634801 -17.409472 -1.2837393 -1.0177029 -21.068213 -0.55634344 -3.643844 7.9947457 -3.7080712 23.339762 17.569202 8.162875 17.137299 12.145069 14.969094 -12.301979 0.88056123 3.3571088 -0.8218955 -8.392485 -1.7770115 -24.990002 3.3273137 25.585863 7.93229 1.3724586 1.7452177 -1.3214326 5.426204 -7.8916407 0.6609974 -2.7285984 -11.616484 12.977989 -5.6411242 -1.4205701 -11.03617 17.183989 3.8195832 6.7765765 -17.347252 -7.058429 -0.031786352 15.621806 6.3125443 -3.3169978 8.791505 8.518394 28.396973 -11.9811 5.472085 10.982016 8.131777 -1.873106 1.3414986 -2.9175024 7.9016185 0.23750916 8.086987 15.900565 12.895638 10.4520035 -16.442488 -1.8452135 -10.888046 10.923744 0.54127717 4.5725846 8.451025 18.949959 -16.987041 11.789562 -13.255125 -5.0331283 10.308009 -5.585824 -6.8536882 11.011568 16.595423 25.016787 29.237907 9.511053 -20.21779 -4.376793 12.608558 -37.407917 21.759111 24.517567 -3.4436696 15.231439 23.388132 -12.26296 -11.609901 15.307909 22.00256 -4.600719 13.160344 1.833943 31.431784 3.3181145 -17.96696 1.9110731 3.9278326 11.223282 33.458088 -32.078342 -13.593166 28.180773 -20.891155 2.0546913 11.399105 -0.72109985 -14.440665 6.0449624 -10.05903 10.272863 17.992395 23.662703 35.571182 -2.0925853 -25.762321 5.955456 -14.907116 -13.632728 18.483418 1.5867097 24.392775 18.736248 -13.805393 13.716973 11.659763 24.833265 0.82807446 -1.1900494 -7.127604 -0.58373904 34.91972 18.66859 -26.263481 -29.280212 -2.3229678 7.533936 -15.216506 3.8027358 15.590991 9.182457 -1.9994072 -2.6941898 14.3356 18.605066 8.857108 28.723543 -4.090111 1.1955203 -0.74914634 5.2101827 4.1356187 13.628609 10.652772 2.7112586 -12.592564 -5.2922564 11.226397 13.137262 7.704335 -14.794446 -0.4375186 1.1011689 2.4496884 6.095163 -7.569931 -3.5797184 5.959022 -19.309893 -2.1856644 2.7079768 -14.227924 -4.4890976 17.223223 -11.331724 -9.029228 10.909482 -10.204524 13.040385 -36.13027 -1.1807455 -14.591568 2.6878273 -10.440481 19.250027 -0.04610671 7.1031375 -8.665391 -6.756278 2.0902982 -1.0342308 26.931576 0.66597605 -16.613424 -1.6942842 -2.4791162 -8.752473 7.1446347 -6.8637094 11.920729 10.099201 5.979701 -10.127153 -9.859559 15.116486 12.36511 1.4749075 -3.2070444 8.622131 3.7823944 -3.7065248 12.413346 -21.165691 -15.573419 -6.004023 1.9007881 -13.912923 0.21806106 -8.882363 11.597327 -3.714187 5.7588534 -8.058184 19.566553 -6.3270135 -8.849163 -8.62155 0.24185634 7.2377334 11.44083 27.565258 -7.2349367 -10.621132 19.445929 -6.393523 -10.90682 -3.3203583 -6.8951693 -0.41962805 26.328024 3.4373128 1.3475693 -2.9579875 19.944462 13.844005 20.264124 1.928035 21.574377 -3.39801 8.376253 -19.97769 8.062692 -2.2351959 13.731436 11.024433 1-(3-O-sulfo-beta-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine(1-) is a galactosylceramide sulfate(1-) in which the ceramide N-acyl group is specified as (R)-2-hydroxylignoceroyl. It is a conjugate base of a 1-(3-O-sulfo-beta-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine. |
439437 -0.19850123 2.9641693 -1.4580458 -2.6016717 0.63631827 -4.3067403 -0.71121913 2.8302994 -1.6490786 0.60303 0.9585064 -5.519799 -1.2302243 -0.6239827 -2.1127098 -0.9792055 -1.3076228 -0.82149553 -5.684761 2.520139 -3.50126 -3.8644648 -2.1265993 -4.018194 -1.336647 1.910901 0.49799842 1.5088536 -1.7573875 -3.1914737 0.4930243 -1.4088856 0.5712079 3.4452012 2.5877454 2.3315382 -1.7785337 3.2088377 -0.5262238 3.1293108 -1.5095183 -0.7104327 -1.1754439 -0.49771082 -4.6564646 0.7420918 -1.4638813 2.037017 -1.217421 3.776625 1.3013326 1.109272 -0.013745412 1.1753786 1.5036318 -0.38282967 2.0395794 0.3926257 0.042778954 -2.621243 -1.3053523 -3.6839771 4.5444803 4.4228997 -1.6183318 1.7771509 2.1092377 0.9257431 -0.7412628 1.4376098 1.3747439 2.6255367 -3.1076777 0.7982507 -2.3095977 0.1266558 -1.1295087 2.252202 0.78204817 3.617849 -4.3849764 -1.3231224 0.2213556 2.4664824 1.9693012 -3.0345573 1.0748487 2.668754 4.4906 0.054178134 -1.014418 0.013153464 -0.9219768 1.1771694 -0.6268343 1.2344848 -0.6342629 -1.1418235 -1.1554128 1.6289006 2.5381691 1.6653229 -2.069876 -2.2985134 -0.54221416 -0.59687483 -1.2055001 1.6536896 -0.49398592 1.5445751 -2.0218613 -1.5743237 -3.1741664 0.09528946 1.4420838 -1.7175312 0.63474095 1.9925976 2.03073 3.1597836 1.2576369 1.5458169 -4.4269047 -0.35273224 -0.33210906 -1.9712203 3.862278 4.6406736 -2.266473 -0.29411238 4.589451 0.20593517 -1.8294814 2.1908832 3.3847528 -1.2272737 -1.6858853 0.9373883 6.441932 -1.010217 -1.4047513 -0.061930627 0.6136051 2.9032593 5.1130953 -5.1648326 -2.1401207 3.8235052 -2.9587438 1.5864116 1.6593299 -0.16275261 -3.1734595 1.7600077 -0.36156777 2.0576315 4.974734 3.3756585 2.8966136 -0.512633 -3.0058815 0.11364233 -1.0863547 -3.2007105 1.0607314 -2.3843439 5.730951 1.5663818 -0.89548457 0.7105358 -0.559637 2.7890193 1.266315 -0.8769626 -0.45426515 -1.053012 6.4219956 3.0427766 -4.563345 -6.4675155 1.8965054 -1.428154 -3.9952111 -0.16405599 3.97607 3.0657337 -0.79715616 -0.85366213 3.2808373 2.4062479 3.2768338 4.06399 0.2791928 -2.0294333 -1.4018259 1.6779104 0.5678582 1.7750212 0.86166215 -1.4046074 -2.840488 -0.8407322 1.3112098 1.2904062 1.4661534 -1.5763379 0.77892613 -0.07551452 2.0856051 1.4912142 0.8634088 0.6388923 -0.4222669 -1.0677022 0.14214452 1.0580211 -2.5095649 -0.59884125 2.8209274 -1.1127608 -1.1212702 1.2736392 -1.1794773 2.6417048 -6.920134 -0.6295235 -3.6622133 1.1957638 -2.8582554 2.9783108 0.14866537 2.7888384 -2.4845788 -1.7204111 1.610244 0.4243463 3.479229 -0.08270425 -1.3447244 -1.3704036 0.2331987 0.27177143 0.5416345 -0.1275185 2.50546 -1.4600747 -1.548431 -1.385955 -1.8139569 0.9450484 3.318353 1.5567483 -0.9150194 2.5360336 -1.1516674 -0.09412053 3.0922508 -3.9699588 0.31090295 0.9773111 0.44749975 -2.6880355 0.48751205 -0.6230225 2.6418273 0.52733195 3.3763566 0.05552739 2.994662 -1.7805614 -1.3099399 0.2721979 0.30744582 0.87878984 4.2417817 1.6074499 -0.7810184 -1.445992 0.027268857 -0.81412303 -2.8098848 -1.7070858 0.63476163 0.14032845 4.177203 -1.7467759 0.13227823 0.9178969 2.148122 -0.5119024 3.9786296 -1.0918111 3.4760268 -2.4178486 -0.9960816 -5.3356605 0.50687027 0.3542299 1.7875466 2.337734 Threo-5-hydroxy-L-lysine is a 5-hydroxylysine consisting of L-lysine having an (S)-hydroxy group at the 5-position. It is an enantiomer of a threo-5-hydroxy-D-lysine. |
70680376 3.803241 8.188541 3.519365 -16.699804 2.660137 -10.830509 -5.305232 10.912129 -11.680178 6.0898867 11.112909 -17.32027 1.3062302 -5.726568 -3.293916 -7.5279264 -3.9630973 9.73402 -18.74605 -0.8682916 -12.303819 -7.792828 -1.0217409 -25.9245 -5.438341 15.637909 2.731712 16.870201 -11.382422 -10.023309 3.9364922 -10.652629 -2.8115222 11.774742 14.972312 12.400747 -10.830537 26.115345 -6.432608 14.21053 -3.5048006 -19.445019 -1.6333966 -3.7378094 -20.248453 -1.2016834 -5.3903313 7.478568 -1.7794456 14.57328 13.7816925 7.9241505 11.8825865 10.48754 9.367424 -14.415804 4.113579 -0.81872493 1.5385287 -7.7685156 -4.204653 -22.150736 4.392478 24.785818 11.222615 1.3112645 0.22167023 -1.2884426 4.8347726 -5.5135193 -1.0870056 -2.1848793 -9.68176 10.671742 -5.3426647 0.9701382 -3.0014627 11.376654 2.775704 4.1185927 -14.884146 -2.4800506 1.0081041 14.875131 5.0714974 -2.047618 6.7361975 5.482987 25.236078 -11.39074 4.5864377 11.75736 10.346879 -2.9715903 1.8697405 -0.42077032 0.90501624 1.6949177 7.95101 16.138124 10.913681 9.27948 -9.847704 -1.690127 -15.213832 9.364375 1.0972576 5.7685976 7.3544674 17.370653 -10.7362 9.522363 -16.56422 -3.839542 2.8123307 -3.4137475 -4.6150794 9.148817 11.527053 20.617918 22.64229 9.173029 -13.380569 0.8419885 8.03552 -29.118137 14.585592 22.625132 1.2397435 11.08035 23.824965 -13.639341 -7.8942137 8.100452 12.779182 -7.385226 8.188702 5.1877813 27.32528 -2.608413 -13.829318 2.2866874 2.7156992 11.087137 21.687128 -30.879137 -10.631594 21.170008 -17.198872 1.4506317 5.804022 -2.0162642 -13.981397 7.643639 -10.467255 5.462744 9.882646 20.412954 28.436195 -1.7078749 -18.347237 4.8628926 -10.7695465 -15.783911 14.796997 3.47501 11.732215 17.493515 -8.264756 13.689345 5.7600365 18.680702 -3.555758 1.0398946 -6.226211 -2.8387153 27.138262 12.093626 -26.89909 -28.3852 2.6261435 3.0309703 -9.749688 3.997421 14.811586 10.016516 -3.9269707 1.2518332 11.230114 19.944214 5.9748125 25.01344 -6.7139063 -3.0806184 -0.51640046 2.881618 1.9991274 14.082043 11.455661 2.939807 -11.440582 -1.4858775 6.9933286 7.1899786 3.9996016 -16.168541 1.8020139 -0.14643076 1.4053352 0.09561463 -6.8082643 -2.4126377 9.450031 -18.052914 -0.5275866 -0.96378636 -13.695052 -2.9554005 16.4005 -7.6694407 -6.7340674 11.405042 -9.337722 8.840125 -35.495583 4.7095733 -10.538799 1.27071 -14.300994 17.326118 -0.25752193 3.6249983 -12.010187 -8.745094 3.1870565 -1.0413125 20.554861 1.3024035 -9.2733135 1.6120449 -3.2041287 -6.5452337 7.578217 -5.954922 8.475292 8.782306 3.1064894 -6.2043486 -8.976447 15.669094 12.459321 -1.3603584 -1.8822377 5.9069653 2.8685248 -8.145676 12.501805 -13.4175625 -13.941887 -7.177618 3.5011196 -11.291243 -1.8145267 -7.313306 11.085009 0.51686525 3.2724519 -11.6842 15.683092 -7.1204233 -10.293007 -8.931437 0.2992159 4.5154853 2.7184994 22.323154 -7.121977 -6.388581 14.203762 -8.966511 -11.877948 -0.1908961 -5.767623 -2.789896 18.944674 8.458905 1.0689603 0.09642413 13.968579 12.088759 16.79098 5.0569243 12.308602 -2.4118571 5.2768407 -15.1307535 9.848968 -0.5545268 8.313162 9.3349 N-heptacosanoyl-15-methylhexadecasphing-4-enine is an N-acyl-15-methylhexadedcasphing-4-enine in which the acyl group has 27 carbons and 0 double bonds. It derives from a 15-methylhexadecasphing-4-enine. |
16066475 -0.36603695 1.798997 0.20942171 -2.4698224 -1.9940977 -6.378268 -0.21623015 1.0919843 2.8442054 2.3395338 0.9129869 -3.0837007 -3.1682637 3.6904547 0.83222604 0.05671337 2.7151423 -3.2247791 -11.107656 3.7459102 -4.175543 -7.635586 -3.8717036 -3.3030417 -4.0603147 0.9447248 0.8888366 6.8357277 -0.00022352487 -3.5299382 1.3947573 -2.025512 0.013702281 4.319407 8.234632 1.3257742 -2.354997 4.678952 -1.3862133 0.77258474 -3.754272 1.0091767 0.1800001 -1.5431914 -2.8094602 -1.0784229 0.4640357 1.6088433 0.96153337 7.7756014 3.749014 -2.561651 4.1893106 0.49578995 5.4921346 0.2124434 0.06811792 2.8801727 -1.2909076 -0.9500208 0.24175629 -3.6562994 1.5566785 5.842243 -3.312561 -0.1802563 2.9097843 2.0114663 1.4578081 -3.2375615 0.15175936 3.8868709 -7.0444365 2.3069444 -0.6694362 -2.3657625 -6.9782057 5.3146544 1.2383151 3.215595 -6.564094 -2.0006738 -1.530084 2.6865776 3.2903466 -3.4042544 2.7090485 0.31723648 5.7348723 -2.158428 -1.6054311 0.41150975 0.7339579 1.5201995 -1.8396201 0.21958862 2.1439197 0.48028758 0.8368922 -2.1094337 3.7824342 -1.3875475 -4.405296 -1.8776021 2.374637 2.381786 -2.9028213 -1.4138105 -0.8657442 3.7012901 -4.1172357 -0.4088421 -0.9241652 -0.052338704 4.6318936 -3.6811798 -0.66896427 3.1771245 3.7904215 3.4733932 3.3256922 1.4995022 -3.0981162 -1.0140784 1.4717976 -9.51282 8.001221 4.660611 -5.598589 2.874031 2.6417665 0.6116351 -8.133586 6.5094047 7.7711544 1.0949621 1.3605746 1.1920702 8.350037 6.0504227 -3.9553683 -0.44950676 -1.3025956 2.9891288 7.5081787 -5.672186 -3.5132692 6.845739 -6.130673 1.067503 2.009555 1.389869 -6.721689 2.3531213 0.049000636 0.980527 7.0275335 4.90243 7.9356284 -3.8223712 -9.108797 0.5293356 -3.5545087 -2.7418978 -0.08401163 -1.4909532 9.365863 5.911124 -5.3092256 0.4945264 2.8279593 6.232548 1.2716124 1.0397655 -1.7608296 -1.7610005 6.906996 6.384036 -3.3135824 -3.0861576 -1.1585746 0.35005417 -5.03059 1.5252342 2.1689095 0.064524904 -1.4144883 -1.513341 0.9103388 1.7189592 3.6301768 5.303569 1.5018644 -0.7287846 0.80460674 1.5429482 1.6750804 1.7675983 1.8795019 2.2321057 -0.6134036 0.6991705 3.101522 5.9516435 1.8608389 -0.35116005 -0.14617842 -0.56201714 0.090639405 2.6121736 1.2823339 -1.762104 -3.9208808 -2.623727 -1.4790874 3.3683395 -0.061121732 -0.7076487 1.573226 -1.2607105 -0.97239625 1.1793602 -1.9670284 3.7078807 -4.472808 -1.5872293 -4.431351 2.3230803 -0.3281987 2.0184813 1.993789 1.1436433 -0.76380306 -1.0771657 0.21350081 0.73328006 5.3529344 -0.3560153 -4.481653 -3.394839 -2.0134714 1.1404933 -0.24590185 -0.17408419 3.1753333 0.72965515 0.05241862 -1.2167487 -2.3065188 -2.0431583 3.414769 1.1518272 -2.0069752 2.0308475 1.8246602 2.0652587 2.3521006 -4.5088267 -1.6489017 1.9320029 -2.7706623 -2.2894323 -0.53799677 -0.06731288 1.5616066 0.62500954 2.6494114 0.086844906 4.141859 -1.021613 -0.76038253 -1.3602265 1.2457274 0.30691174 6.1523495 4.1333213 -0.39424777 -2.6011317 1.0299269 0.7535706 -2.7785885 -0.6143636 1.0170319 1.0205946 3.0488698 -3.5886426 -3.1144664 -2.461823 5.689416 1.2509037 2.6133642 -2.2841024 7.880087 -3.0879648 -0.44753724 -9.059554 -0.44078565 -0.8365047 1.9307283 2.6244671 Ascr#2 is a hydroxy ketone ascaroside obtained by formal condensation of the hydroxy group of (5R)-5-hydroxyhexan-2-one with ascarylopyranose (the alpha anomer). It is a major component of the dauer pheromone, used by the nematode Caenorhabditis elegans as a population-density signal to promote entry into an alternate larval stage, the nonfeeding and highly persistent dauer diapause, and also synergises with ascr#3, ascr#4, and ascr#8 in male attraction. It has a role as a Caenorhabditis elegans metabolite and a pheromone. It is a methyl ketone and a hydroxy ketone ascaroside. It derives from a (5R)-5-hydroxyhexan-2-one. |
169371 -1.788147 11.296967 -3.98828 -7.868904 3.4504788 -9.511931 -8.721088 8.795824 -3.1318955 5.4892054 6.8753953 -12.054617 1.1557584 6.878804 2.8661425 -5.876787 1.3381099 -0.13303843 -15.885742 4.47443 -8.318689 -5.5648613 -6.520262 -9.4087305 -4.296126 1.3392298 0.54865265 7.2909117 -2.5884354 -9.431559 1.4048457 -0.4526974 4.5794635 9.396434 4.415321 7.519005 1.1443644 6.685862 4.669004 0.9386029 -3.616571 2.7940128 -2.838449 -3.4595482 -9.861321 -1.884071 6.595106 -0.49016798 -1.4061332 7.4154587 8.351473 1.1502404 4.4867525 7.632892 3.1235158 -2.7633252 0.64538723 -4.859212 -5.221548 -4.0599794 -0.06774674 -3.0169075 5.2222786 3.0471518 -6.7894926 2.0517116 2.5981832 2.837821 -1.6199874 4.9923644 1.6813692 2.847003 -10.116543 -0.44468594 -5.0397353 2.0024195 -7.2944913 4.711957 6.7781444 8.580561 -3.2357767 -7.7698483 1.3836434 5.389202 -0.108050674 -1.4913391 0.73342496 3.1639638 7.297159 -4.270365 -4.324407 -5.1796746 0.29367712 2.0469565 0.30928424 0.39247286 1.1485307 -3.4614608 -6.3647985 0.8773016 -0.6688631 -2.0804255 -8.88534 -3.8594568 2.7718697 -1.4616764 1.0250537 -1.390114 0.8097896 6.5624475 -7.586443 -4.7899504 -8.268825 -4.4670177 8.984387 -4.8595605 7.3009915 6.444391 4.807241 10.364125 5.67969 -3.3936155 -11.122458 -1.9440702 10.361346 -6.2396097 16.396568 9.60771 -2.6225305 5.30381 10.046524 2.636135 -12.149937 7.071031 12.215009 1.7308713 -3.8228269 -4.4083295 13.59918 6.943452 -1.2707479 -4.9780955 0.8879276 10.297274 10.830674 -10.668268 -5.669269 8.268675 -14.67689 1.6292949 11.101982 -2.9660742 -16.085323 2.0279877 -3.4334948 -1.1636453 10.878407 4.12615 6.360022 -9.471712 -5.2161994 -2.781008 -9.215466 -6.568679 6.580402 -10.569611 16.34054 6.7504625 -3.3717175 -2.045939 -1.4178387 -4.5131426 10.663451 -2.5166256 3.9913952 -3.9239008 8.992396 2.5984511 -4.5609136 -4.270642 7.858146 -5.449666 -2.4435623 -0.6300786 10.876438 2.4666836 -6.0881433 2.874035 1.8550265 1.2464969 15.593844 0.48468164 -2.1173062 -4.2772713 -7.056236 -1.283339 -0.5472714 -0.58048975 2.4109762 -4.5374146 -0.5968051 -9.778623 2.889498 7.571172 -0.73923194 2.2036955 3.9287307 -2.154486 12.428045 4.942557 -1.239839 11.139102 5.8876967 6.15223 7.621951 6.4596844 -4.1624074 5.718155 1.0807754 -2.580284 2.2089527 -14.174901 -11.719209 2.3618681 -13.372238 0.34922296 5.965573 -4.9377 -0.20557682 -2.5000882 -2.9825845 8.887014 -4.431075 -6.026346 -0.77719057 4.9651165 4.625171 -0.3503631 4.101034 0.75306255 3.871782 -6.5966287 -5.05945 -0.35605216 0.96208435 -5.2144094 4.7277236 -0.3888502 -3.5172048 2.7413385 8.582138 5.2638083 5.3639135 3.511938 -5.771132 2.1601863 7.661452 -8.889784 0.89251554 -8.707578 -1.0707029 -7.114815 -6.5673947 6.3315225 -5.063635 0.81820494 -0.46995318 3.583027 3.3172755 2.1274667 -1.2052006 4.0554647 6.0239215 7.766226 14.78144 -6.9407854 4.7282753 0.99672955 -2.176546 0.23781869 -6.192254 -6.008212 1.9464852 6.0030656 6.1091924 -4.836824 3.5110886 -1.3106527 3.3931668 -6.611693 7.70991 -1.8657069 7.341498 -5.4528728 -0.7740544 -8.3930235 3.080004 2.4230406 0.29566705 3.0158544 4-aminofolic acid is a dicarboxylic acid. It has a role as a mutagen and an EC 1.5.1.3 (dihydrofolate reductase) inhibitor. It derives from a folic acid. |
86957 -1.7560406 2.8659844 -0.8930993 -1.9956863 -0.2839318 -5.4390364 -2.36603 1.441123 -2.7415001 0.8600872 3.1963835 -4.0354543 0.5549629 2.7113276 2.1264124 -0.023046017 0.54823196 -0.0065174103 -5.728577 2.878451 -2.9665215 -3.2312791 0.37332255 -4.1253333 0.03479193 0.019773275 -0.017355233 2.8243918 -1.5144274 -2.6853793 -0.78753966 -1.9101992 1.5309192 2.4115443 -0.15113409 3.0463607 0.5747097 1.625703 -0.46122786 1.5691717 -2.771335 1.6616001 0.7920954 -1.8280455 -1.6127915 -0.5473783 3.3202913 -0.5388271 -0.7811494 3.2870662 3.5061352 1.333605 0.42447853 1.0981747 -0.40804827 0.700405 -1.6888889 -0.6550358 -1.0060521 -0.5125381 -1.6568328 -1.6065739 0.95241153 1.7809205 -1.1590714 0.88143265 0.83619833 -0.35141534 -1.0124099 1.7632381 1.4492779 3.077027 -1.0633794 0.55970955 -1.8996776 -1.6113157 -2.816082 3.2648118 2.244729 3.6290574 0.11936611 -2.5010824 0.1791694 0.37671635 0.054995075 -2.4810176 0.36098173 -0.11513746 4.530767 -0.05629362 -0.5252549 -4.2094274 -0.8342131 1.7647415 0.52704275 1.4644339 -0.012073725 -0.18651839 -4.801347 -0.38629583 0.39380684 -1.9827334 -3.6476185 -2.7701778 2.2371092 -0.0078608245 -2.0524988 -0.7566443 0.2409133 -0.19209981 -1.3364103 -3.5034142 -2.1409397 -0.63950497 2.8133876 -2.2796617 1.6173768 0.9529722 0.4806404 2.8879125 0.22595847 0.15119755 -3.3950028 -1.5302371 3.5174234 -2.5866718 2.350921 4.7645335 -1.1924595 -0.36934274 2.1964104 1.3500004 -4.4920616 0.24173781 4.176878 1.5446982 -1.9637182 -2.4147167 3.2470517 0.9489249 -1.9327912 0.019597977 -0.105820596 2.5686104 6.96876 -4.72859 -0.9068263 0.62211317 -2.6084907 1.5006559 4.0340643 -2.7650354 -6.708034 1.4487907 -0.17283176 1.3613318 3.6390543 0.60599864 0.73822576 -3.7934265 -1.5180947 -0.30514082 -0.6619903 -2.0201626 1.9893271 -1.8591208 7.0034842 1.6540005 -1.240961 -2.137049 -0.8638691 0.7722752 3.6003172 -0.34662187 0.9780432 -1.399021 4.2968435 1.2997851 -3.7409697 -1.0665646 3.259842 -1.5148623 -5.123854 -0.04218756 2.7309468 0.8595694 -3.418376 0.83898115 0.03473288 1.1211511 4.088795 0.27755484 0.8692406 -1.6841569 -2.9536808 -0.26995566 3.1445117 0.44686678 -0.73776037 -1.3514743 -0.48856705 -3.2677834 1.529892 1.7916796 0.25681743 -0.8164569 0.646935 -0.84629226 3.442147 1.862099 1.2578723 2.49631 0.008985706 0.60791224 2.7315764 0.70954597 -2.8225532 1.307725 1.2239299 -2.0169091 0.8071089 -2.400928 -3.1060088 -0.4235988 -5.0941234 0.0007253587 1.516794 0.744049 -1.5247539 -0.25802696 1.8929908 5.0532374 0.047239438 -0.85333973 -1.0840483 -0.3212828 -1.2662 0.6010065 -0.63018245 -1.610631 -0.03982176 -1.4632822 -1.365934 0.35863334 1.0395119 -1.9839984 -0.05723705 -0.449732 -2.746375 1.1975403 2.1789966 4.0875745 0.19150338 1.2079791 -2.530304 -0.31468758 2.2448304 -2.127505 0.27529418 -1.6910408 -0.490062 -2.489792 -2.2494757 1.1093271 -3.3773673 -0.45371583 0.69925094 0.23827383 1.4918818 0.5478877 1.1736406 -0.94799125 -0.5085857 4.619976 5.694342 -0.8402824 0.601053 1.301458 -0.33290595 -0.43630907 -3.9435267 -3.1895006 -1.4215716 3.2981899 3.511893 -1.8643951 1.9571006 0.19449787 3.263072 0.3300448 2.4534204 -0.7884222 3.8811555 -2.5835247 -0.28875193 -3.5132363 0.28712422 -1.1018744 2.1914601 1.9070871 3-hydroxymandelic acid is a 2-hydroxy monocarboxylic acid that is mandelic acid substituted by a hydroxy group at position 3'. It has a role as a human metabolite. It is a 2-hydroxy monocarboxylic acid and a member of phenols. It derives from a mandelic acid. |
11413522 -2.3902524 2.645866 -4.423585 0.81626964 -1.8395531 -3.1904154 -1.7313032 -0.2692424 -1.8894224 1.9267975 -1.0364218 -6.9027762 -0.13667262 -0.2782738 -3.2575057 -1.4895877 -0.4372099 -0.19203272 -5.3806205 -0.0035582185 -3.9260664 -2.9510193 -1.532136 -3.822684 -2.7484477 3.1346087 1.0766069 3.9457715 -2.6371505 -3.5877562 -0.8913132 -2.9081278 -0.12743038 4.9092 3.880818 1.3598287 -4.7038727 -0.57356155 -1.4008546 2.4963002 0.54168373 -0.54837906 -2.7404537 -1.6786361 -5.430105 -3.1728976 -0.67296463 4.00922 1.3723571 4.0202756 0.9279555 0.141853 1.483904 3.0891013 0.43584782 -0.36751652 1.6060468 -0.9434147 -1.2335477 -2.032294 -0.69781256 -0.8658836 1.1455626 3.6208537 -2.2464383 0.1372052 5.729119 5.492117 0.19086494 -0.7612542 -0.19583641 3.6849928 -5.4020786 -3.600206 1.5123664 -2.7597044 -4.0191793 4.5695267 3.3319945 5.0805187 0.7226534 -2.9989011 -0.6708228 6.537848 1.9979327 -0.25447163 1.9118502 0.41849342 5.501666 -2.8527098 -0.83896095 -1.0116773 -0.007134851 1.0860424 -3.4226499 4.3857293 0.6642076 0.83895636 -1.5995252 -0.5744488 -0.2267696 -2.300232 -5.55371 -0.6356076 4.9133677 -0.65389013 0.6134009 -1.031344 -1.2619923 6.302432 -2.7448428 -3.9035895 -5.961088 -0.8634016 3.891807 -0.38629082 2.7587519 0.8438661 2.8713398 4.905131 2.5422864 -1.0772682 -5.4887156 -1.255267 3.7729561 -5.857856 8.338075 2.8768175 0.9898783 4.6942654 7.134059 -4.351709 -3.7043424 4.201775 6.208036 0.077143766 2.554546 1.7877132 5.937929 3.7564142 -1.7594398 -3.607008 -1.3040229 4.64445 5.4491215 -2.1497998 -1.8085239 3.5500696 -3.6301596 -1.27243 -0.24493933 -0.24564499 -9.197916 0.2965563 0.6786761 -2.7559564 6.750232 2.261176 3.9775455 -4.6349263 -3.4979372 1.6791862 -5.8792753 -3.601099 1.7243006 -2.5338707 5.8858027 4.7148156 -4.119726 -3.2892785 -3.1721501 4.7367296 2.8296611 -0.66677415 -0.85126716 -3.7163904 3.0210173 7.324427 -2.5172606 -1.9199184 -0.0716221 0.29956153 -2.7963312 -2.9449608 4.060479 -2.5123978 -1.0609287 3.2749915 5.4508853 1.1630088 4.4584703 4.8881574 2.0038826 -1.6576877 -2.0192616 2.0694358 3.26923 2.8207066 0.6144468 -0.0849807 -1.62091 -3.8545778 2.7352304 5.587673 -0.42264703 0.7314884 1.9737173 -1.9237128 0.64956063 1.3064082 2.7979128 0.648457 2.024118 -1.5862324 4.265715 2.2335162 0.059461683 -0.8525251 -1.2088884 -0.394748 2.287478 -5.4803557 -3.2793221 0.5612454 -7.851385 -1.9959044 -0.43421465 -2.417313 -3.4371326 0.40227324 0.40622148 1.7617004 -0.8724964 -1.5177758 1.8333024 0.6968174 5.1764646 -1.1940801 1.9807634 -1.1769658 0.51222235 -0.5865496 -0.6268014 0.9409986 -0.9402614 -3.214825 0.8014469 -0.34393528 -0.36684966 0.17215125 7.138311 1.082527 -4.179947 2.579638 -1.9964707 3.516347 3.5036454 -2.6143396 -0.8524593 -1.4829892 -0.34384084 -3.8589559 -4.8204756 1.1055853 -0.89673096 1.6784811 1.3298557 1.511997 3.928405 0.5510614 -0.7543024 -2.8617814 -0.80911064 2.1196797 2.4946716 -2.2687314 1.7292421 0.8032755 -0.07341546 -4.440312 -6.012102 -1.6330152 -1.4548119 1.7320262 5.1623716 -2.7082748 -1.9687212 1.020043 5.184747 -1.2777504 2.1397138 -2.4867666 5.251482 -2.3373363 -0.6776865 -4.431853 3.1125405 -0.63511276 -1.4498538 2.7403538 3-acetamino-6-isobutyl-2,5-dioxopiperazine is a member of the class of 2,5-diketopiperazines that is 2,5-diketopiperazine substituted by an (aminocarbonyl)methyl group at position 3 and an isobutyl group at position 6. It is isolated from the fungus Cordyceps sinensis and exhibits significant cytotoxicity against L-929, A375 and HeLa cell lines. It has a role as a metabolite and an antineoplastic agent. |
53239764 7.6685963 7.577995 2.6047297 -4.57615 -7.1663756 -12.518827 -3.841357 -2.0018702 10.191725 12.675781 11.949107 -11.315503 -9.119627 17.760118 6.9820576 -0.90283525 19.973282 -7.4326615 -18.89524 10.443727 -7.299974 -23.250673 -15.381633 -0.17045945 -14.9602585 6.5367804 0.23726773 20.443546 0.3570205 -11.905664 3.3729417 1.8089778 -2.0698438 11.493104 22.036152 -0.63823617 -3.783025 10.647403 -6.281565 0.80056137 -13.639529 7.2288704 20.062227 -4.2974124 -4.1513433 -0.37363085 0.5232458 1.6650816 -4.268781 13.195212 11.09783 -11.012822 10.76382 0.64558923 9.19291 14.416305 -2.0795314 15.869453 -3.6133866 -1.1971799 13.032271 -12.7737055 -4.7687416 20.43343 -9.145662 -6.2181215 4.8027782 6.493469 1.2763689 -9.165234 -8.802573 2.6077893 -15.058962 -1.5220519 6.6158495 -8.619067 -6.8016768 18.340862 4.5969987 7.221911 -7.3594337 -5.9120455 -4.0089097 11.623277 5.674339 -6.8279176 7.190615 -5.452881 15.752465 -4.4284916 6.3314924 -2.4771564 -7.023845 4.4902105 -1.5779831 5.8290796 3.5583363 7.8349233 -8.83963 -6.6066737 5.71657 -15.84732 -12.243272 2.868305 10.591177 10.58287 -10.052056 -13.511001 -3.921755 13.394482 -14.994103 11.277026 6.811731 -2.8416247 16.543966 -11.189369 -1.3695704 -1.7451631 12.417479 15.172926 9.620901 6.755293 -9.090816 -4.7417874 15.029796 -23.476223 17.305452 6.75686 -9.9704485 13.147476 0.31195068 2.6149752 -17.154388 8.20081 20.894434 9.737018 7.6702504 1.7584045 20.62344 15.646826 -12.156737 0.6006682 4.1252766 7.454704 11.512591 -13.868182 -13.432025 12.260691 -9.596749 0.12408543 -4.045971 -1.1701705 -11.869322 4.0565014 8.48024 1.2104917 13.039251 9.906461 18.164732 -8.157778 -13.17486 4.1778574 -9.841789 -4.334318 -14.407352 -0.065845475 24.589869 5.942537 -13.751835 -5.221277 7.628313 12.988198 2.5574894 0.53887784 -4.978947 -3.5611084 1.6585133 13.702689 -3.1620433 2.159678 -11.405267 7.2122545 -14.986915 -1.0612506 7.52014 -1.9582167 -8.029654 -0.49916434 3.514736 1.3478578 14.125428 9.527786 5.97025 -5.408608 6.7491813 3.5799663 11.185824 -1.7207144 2.819013 4.553393 4.6977606 4.1646023 9.699524 18.356022 6.110507 5.6485515 8.813574 0.45232478 4.9647427 12.183305 1.3069223 -2.1263452 -14.259469 -11.502425 2.9130738 4.3133826 -0.7081335 -3.1726804 3.6428604 1.9331788 6.8752203 -8.762654 -7.4190073 3.288636 -0.6725017 -17.881912 -7.08776 5.303481 4.711279 11.296727 -1.824376 3.4186184 6.010452 -5.087113 2.2825367 4.4405456 9.867493 -1.1417856 -8.896748 -16.937094 -8.122611 0.65088487 -8.767768 2.6309745 -4.7814097 -2.1899025 -1.0855612 7.145824 -6.7096972 -9.222042 2.5783312 3.0405674 -7.902188 3.3640842 4.6600137 16.364456 6.803086 -12.509147 1.7230389 1.8215245 -15.007828 0.67065203 -6.365532 0.029015318 -3.9363265 -8.632833 7.372828 0.9348416 11.388945 -5.816125 1.66046 -0.5175916 -3.5638256 16.170307 15.207799 5.382648 -2.8495357 0.45762795 -1.5752254 -5.5050573 -13.3308325 -5.816504 0.26208028 -0.48868677 2.9461255 -11.029045 -18.43321 -1.3606478 17.945702 8.000975 11.339609 -4.8024526 25.28278 6.0889425 -6.163987 -23.982462 0.5662483 -6.8185854 8.110388 10.1423025 Soyasapogenol B 3-O-beta-glucuronate is a monocarboxylic acid anion that results from the removal of a proton from the carboxy group of soyasapogenol B 3-O-beta-glucuronide. It is a carbohydrate acid derivative anion and a monocarboxylic acid anion. It is a conjugate base of a soyasapogenol B 3-O-beta-glucuronide. |
24180719 -2.267601 5.597493 -4.115649 -2.5026803 5.2341366 -7.921805 -10.273273 4.819065 -2.2228518 0.30190906 7.012398 -7.3948917 0.23033944 8.919207 2.8402045 -3.172043 3.677562 0.6702757 -14.312922 7.0662823 -9.658407 -4.612566 0.8468679 -8.410844 -0.56736493 -1.4835323 1.4294595 6.022994 -3.1138022 -4.1626034 -2.468077 -1.8173683 4.5123863 7.7840204 -0.04081969 6.9024315 6.3208785 5.96538 -0.13011663 -0.8016653 -3.2672575 -1.0020821 0.86978596 -5.150504 -5.010834 -2.4077804 8.039626 -5.549695 -0.22547975 5.0408278 6.0081096 3.7157304 6.77984 5.9667172 -2.9790459 -0.14485092 -2.672487 -6.396375 -6.1622567 -3.3715641 0.5895784 0.8091377 0.7737495 1.5291281 -3.4352884 2.9133632 0.53548425 1.91736 0.77500975 4.016911 1.0954437 2.1821532 -2.7999635 -1.6766608 -4.9698563 -1.4189663 -4.1742725 6.889356 12.343399 10.82399 4.3437185 -4.0497937 -0.12414317 3.4738617 -1.0282351 -2.2297275 -0.1726689 1.0911667 10.613218 -1.7499484 -5.3229346 -5.848588 -1.0273235 1.5374786 -0.16057208 3.0725586 3.7261522 -1.7535048 -7.8688154 3.461176 -1.5344504 -3.1971045 -7.7006407 -2.0556958 2.139452 1.5885795 1.8828168 -2.9957614 -0.32007948 4.5560265 -6.3208556 -3.2696724 -3.3759751 -4.1217566 4.470253 -4.9971046 4.127722 5.129427 0.63680595 10.381604 7.9369836 -5.9488797 -8.666839 -3.7970986 8.165533 -5.973868 11.834591 4.1443577 0.9711143 4.7979546 11.048026 -2.962748 -11.765805 7.3699493 11.816269 3.8602772 -0.3016556 -8.219902 5.3367867 10.15465 -3.5947976 -1.1286266 -0.12404554 5.0244913 10.867782 -10.831348 -5.117721 4.8883514 -8.633725 1.7845652 7.789412 -3.646985 -10.165488 1.3895395 -1.5891482 -2.9384274 9.494454 0.8929867 1.6162298 -7.9496355 -1.7323077 -0.6504593 -7.2570195 -2.0389266 5.9075837 -8.708517 10.725563 2.5785584 -5.3327937 -2.6353917 -1.3804872 -1.6233331 11.191152 -3.2864037 5.452182 -3.8362818 6.2485723 0.49965805 -3.7877936 -1.5279412 10.122538 1.803803 -3.2968113 -2.7343059 9.242624 0.009292692 -9.054912 4.9441466 0.38828695 1.4510025 13.475447 1.9483517 -0.79904383 -2.4598203 -5.077921 -4.575123 3.5905979 -2.29539 -2.3030767 -1.5365366 2.318168 -11.087567 3.8761625 3.4450023 -2.5189862 4.9569845 -0.89319503 -1.5327989 8.323454 5.9709654 -5.603355 9.988261 4.5691686 3.5665925 10.551081 2.594685 -4.22946 1.6442076 -6.477472 -2.3490586 2.1557755 -8.019374 -10.496433 -2.551813 -8.855797 -1.3775926 5.6390386 -4.6937437 5.3730845 -3.7732902 0.669049 12.453693 1.8024628 -3.9361863 -0.7891751 3.192744 1.1705277 2.653939 1.0049247 1.6126033 2.770509 -6.1333013 -4.6762056 3.4329827 -0.24468714 -2.1311421 9.449487 2.7241204 -6.6469693 1.732389 3.5349743 6.776113 7.1086817 -1.6825595 -10.688604 -1.3913112 5.629471 -7.063152 4.5550985 -8.271421 -0.41993374 -3.423062 -4.3301387 4.5458817 -7.3582315 -2.3174832 -0.23658076 1.8105775 2.123303 3.69761 5.819235 -2.5610514 3.543948 11.502765 13.069749 -7.2140627 3.164982 4.712129 1.0968953 -2.1647134 -8.877695 -5.6803255 -5.6498904 7.7921157 6.602816 -3.9635577 4.8478475 -2.112796 4.3699694 -2.829016 6.7893763 1.1621091 7.7545795 -4.8119674 2.8561866 -6.0279202 1.638245 4.9158893 2.0740733 4.837456 PLX-4720 is a pyrrolopyridine that is vemurafenib in which the p-chlorophenyl group has been replaced by chlorine. It is a potent and selective inhibitor of the Raf kinase B-Raf(V600E). It has a role as a B-Raf inhibitor and an antineoplastic agent. It is a pyrrolopyridine, a sulfonamide, a difluorobenzene, an organochlorine compound and an aromatic ketone. |
18998026 0.4349333 1.2390056 0.23754075 -1.8747308 -0.90442955 -3.226825 -0.72246516 1.386829 -0.6651717 0.8425775 0.990436 -2.5350018 -0.43397567 -0.6126556 -1.6871629 -0.80095017 -1.1365712 -0.9071959 -2.3554356 0.8208488 -2.9347067 -2.6110573 -2.2428796 -2.3511653 -0.93201125 0.80050266 0.50922555 1.7609658 -0.5453149 -1.9211074 -0.06758846 -2.5741267 -0.31682634 1.8286958 2.1067178 0.4352433 -1.225963 1.6856675 -0.47681803 2.6197076 -0.92600393 -0.9595887 0.05896262 -0.24061802 -2.0756118 -0.15652837 -0.17574124 0.9926067 -0.64598083 2.2385879 2.0845487 -0.052877143 0.5154522 1.2085122 0.75631034 -0.16781744 1.6468838 -0.42802507 -0.5489186 -1.0244014 -0.89333093 -1.117252 1.4689406 1.60967 -1.0998148 1.211783 1.7874913 0.9633174 0.1340927 0.3483358 0.6146189 2.168099 -2.49122 -1.0770556 -2.003353 -0.89531034 -1.5039048 0.8758609 -0.24687096 2.1492329 -1.9552534 -0.84921837 -1.1240175 1.3225908 1.0720847 -1.9998678 -0.42081788 1.7472911 1.990923 0.41531563 -1.0270861 0.29047024 -1.4875019 0.71883357 -1.6946895 1.2058979 -0.00033217669 -0.02570431 -1.1534592 0.637059 1.1949465 -0.3491753 -1.0167217 -0.5952262 -0.9183267 -0.740367 -0.36463332 -0.764849 -0.41520956 1.0009569 -0.9728749 -1.5201244 -1.3853047 0.40285644 1.9412677 -0.94644105 1.2033312 0.3026091 1.2162037 1.5269455 1.426452 -0.04850378 -1.9764801 -0.27377084 -0.33445945 -1.6186849 3.0997787 2.5650692 -0.10987526 -0.32082024 3.0248022 -0.38227192 -1.5809215 1.5576001 1.4649734 0.49100646 -0.3020668 0.4512697 3.501144 -0.045578867 -0.5139334 0.051313594 -0.34085995 1.6332153 2.3682172 -2.6561441 -0.8012961 2.1817727 -1.1018927 0.43348655 -0.05308795 0.42771304 -1.9641771 0.17123815 0.314073 0.046580955 2.6811175 1.0551118 1.2255733 -0.33646423 -1.9730659 0.40959305 -0.21352136 -2.9015536 -0.061653856 -2.327938 2.557518 1.3667972 -1.345124 0.55411386 -0.47652322 1.8514352 0.34363863 0.22979008 -0.15728386 -1.589156 2.1476088 2.1373491 -1.9241229 -3.9666154 1.9568688 0.044256814 -1.6386137 0.15099244 1.4314417 0.4604589 -0.8040031 0.29955298 1.1743565 2.0872712 2.5635252 2.8678086 0.19198516 -0.7912135 -1.8024769 0.10428126 0.8288289 1.3068447 0.30707514 -0.7155942 -2.1050649 -0.46073648 1.2089176 2.145431 -0.38211352 -0.6565779 1.2125121 0.49288398 1.0365565 1.2240757 -0.64122736 -0.9927846 -0.71201235 -0.42691112 0.41491452 0.90012646 -1.4467373 -0.8912129 0.45098698 0.5120886 -0.051231958 0.18193015 -1.4081228 1.1486104 -3.4169512 -0.75829065 -1.2060525 0.14704652 -1.8748329 1.1841182 0.2759865 1.8175018 -1.6745939 -0.5248447 1.5056773 0.3467156 2.1198006 -0.5152208 -0.13618284 -0.04884903 0.44295585 0.98629946 0.09292455 -0.02511929 1.2179765 -1.2610952 -0.47345543 0.45122644 -0.9988005 -0.3645804 1.8678061 0.90920335 -0.6528476 1.0915318 -0.5340308 -0.05939264 0.8668742 -2.2558534 0.77873135 0.31469724 1.0753624 -0.8656139 0.38907075 -0.12157656 0.96911687 0.97717893 1.0717984 0.52296025 1.551486 -0.72671705 -0.51076263 -0.028468683 1.3426316 1.6796324 2.4403853 0.011456454 1.3879988 -0.62765616 -0.9660382 -0.5803683 -1.4804734 -1.0361156 -0.83680785 -0.23995109 2.321569 -0.64683425 0.13404632 0.09605433 0.8191923 -0.31563774 3.798443 0.5665822 1.8190501 -2.095097 -0.8898169 -3.0360456 -0.9498435 -0.37067837 1.0967802 1.0405313 3-aminoisobutyrate is a beta-amino acid anion that is the conjugate base of 3-aminoisobutyric acid, arising from deprotonation of the carboxy group. It has a role as a metabolite. It is a conjugate base of a 3-aminoisobutyric acid and a 3-aminoisobutanoic acid zwitterion. |
71627286 7.192405 11.975953 5.4258394 -12.572118 1.4221323 -10.5379925 -6.9281673 10.630229 -8.56072 8.702943 14.29644 -11.943996 4.1196795 -4.076466 -2.0720057 -8.759728 1.249157 11.767523 -17.867716 -0.11079068 -8.952176 -5.6899633 -0.38295794 -20.581951 -7.638633 11.36696 0.63929856 17.302948 -11.490814 -11.292581 0.34021002 -9.31422 -3.5525587 9.986557 16.457327 10.774442 -6.0706096 23.131413 -3.1757832 11.096965 -4.263292 -14.33551 -2.575318 -7.3632526 -18.079277 2.5865457 -1.8936265 5.392332 -3.6762886 8.648834 16.18845 6.3436174 12.347759 10.221425 9.523755 -13.455527 1.1965137 -3.0011647 -2.0479283 -6.8780017 -1.4077642 -18.5053 0.8835028 22.432528 9.922845 2.5941887 1.3844571 -3.312467 10.656679 -5.8098454 1.1613662 -0.92478335 -10.931143 9.215034 -4.416304 2.2451339 -6.309549 12.086218 4.8996897 3.701573 -10.781817 -3.232388 0.49257803 11.7104025 2.7631452 -0.2507409 7.020825 7.03371 22.095663 -12.3154545 4.170434 9.702838 12.295251 -3.4410226 -2.1816947 -1.3866013 6.8286057 -1.0690312 11.118839 10.77206 10.615015 7.7414966 -9.853985 -2.2585146 -17.818058 7.3876114 2.8502867 -1.2139304 8.014692 16.752232 -9.352146 6.234966 -16.394535 -3.2095795 2.8502285 2.5700655 -6.4863696 5.7484117 12.247793 15.2736845 23.421764 3.9480288 -10.007416 -0.73537904 9.979552 -30.036886 15.707862 22.598186 1.1780297 15.494207 20.302666 -11.921567 -8.547026 8.58393 15.22683 -4.4189844 9.007189 4.6676273 24.283838 3.3176312 -10.158558 1.2074631 -0.28743643 8.668441 19.880161 -28.722906 -6.696099 20.888039 -16.166353 1.7743667 4.7284408 0.72740066 -15.6695175 2.9173791 -7.039661 6.840033 9.935604 19.912586 27.940138 -3.4325936 -20.501308 6.4908648 -10.2577505 -13.190595 14.085499 -0.5500045 10.693572 16.88969 -12.333483 13.16361 9.433481 16.387327 -1.8915895 2.3876464 -4.7138352 -1.5723119 25.246822 8.911515 -16.354673 -19.974625 1.63537 3.764392 -8.842433 1.5208771 11.603462 7.308942 -3.4744742 1.0545834 9.49678 14.374025 2.998352 25.48471 -2.3127089 -1.664158 -1.1585764 2.518365 6.183194 11.029352 6.503744 3.5531101 -13.463361 -1.281696 7.6184773 7.353851 4.661632 -10.246361 1.9040163 0.24997751 3.2996156 3.523022 -9.114415 -0.8419807 8.825429 -16.622782 0.42705518 -3.380696 -8.196509 -4.3762264 19.219208 -5.004033 -7.29395 11.952377 -11.213291 9.883264 -32.05416 3.6126568 -9.54623 0.37332 -11.200987 10.604642 3.2668946 5.867275 -8.030985 -9.9174795 3.2986476 0.97765094 22.806248 -3.1552532 -9.082025 -2.1567407 -1.352215 -3.4724386 5.5922456 -6.1578493 6.351196 6.1920304 2.4225597 -2.1653385 -5.5673404 15.924159 11.91826 -2.1131437 -1.7812053 1.4639144 4.3407884 -5.3018465 12.458082 -13.89189 -11.473931 -7.594524 5.26598 -9.784941 -1.1532991 -8.102629 11.289544 -0.3427018 1.3491569 -9.642726 13.76691 -7.1024365 -8.763704 -4.9652233 4.761661 2.9584358 3.4409883 22.967596 -5.5530005 -9.6650715 13.178297 -6.292192 -7.690477 -0.4022412 -8.2358885 -3.4786868 15.666882 8.078891 3.9744139 -7.1981125 11.282264 10.445432 15.616299 5.0973983 11.098688 -2.3187637 8.687427 -10.015809 7.1386075 1.5279741 6.347914 9.5643635 1-(9Z)-octadecenoyl-2-(9Z)-hexadecenoyl-sn-glycero-3-phosphate(2-) is a 1,2-diacyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-(9Z)-octadecenoyl-2-(9Z)-hexadecenoyl-sn-glycero-3-phosphate. It is a 1,2-diacyl-sn-glycerol 3-phosphate(2-) and a 1-oleoyl-2-acyl-sn-glycero-3-phosphate(2-). It is a conjugate base of a 1-(9Z)-octadecenoyl-2-(9Z)-hexadecenoyl-sn-glycero-3-phosphate. |
Subsets and Splits