HMDB0049978 RDKit 3D TG(18:1(9Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 183182 0 0 0 0 0 0 0 0999 V2000 6.6016 -1.4270 6.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0983 -1.7815 6.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2934 -3.2200 6.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8037 -3.9661 5.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3624 -3.7091 4.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4678 -2.3532 3.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8243 -1.8223 2.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8648 -2.6064 1.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5260 -1.9417 1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9947 -1.4834 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 -1.5860 -0.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0086 -0.2424 -1.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6143 0.3371 -2.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7335 -0.0749 -3.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9553 -1.2697 -3.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6332 -1.2799 -3.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -0.1473 -3.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7192 -0.0767 -2.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2956 0.1553 -0.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0334 1.4867 -0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5909 1.7989 0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5408 1.9502 1.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3419 2.0581 1.1554 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8649 1.9761 2.8397 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9885 2.1319 3.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9185 1.0376 3.9847 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1862 1.4944 4.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3906 0.7502 4.7811 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4443 1.1938 5.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1648 2.2142 6.3143 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7858 0.6998 5.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2011 -0.5553 5.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9303 -0.6842 3.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3863 0.5191 2.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1455 0.1843 1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3492 1.3875 0.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2263 2.4069 0.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3920 3.5527 -0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4847 4.7871 0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4288 5.1484 1.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2116 5.9772 1.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2006 7.2259 1.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 8.0247 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8649 9.2743 0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4437 9.9853 0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5553 11.2582 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 11.9593 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -0.2149 4.2432 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5778 -1.2387 3.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2131 -1.0338 2.1685 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1297 -2.5346 3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7106 -3.3908 2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 -3.7361 1.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6182 -4.6993 0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8207 -4.9608 -0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4487 -5.5088 -0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1734 -5.7498 -1.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2339 -4.5328 -2.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8569 -4.8041 -3.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2959 -5.2335 -3.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1632 -4.1352 -3.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9982 -2.8822 -4.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9403 -2.2257 -4.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3758 -2.5664 -4.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1898 -1.4342 -4.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9626 -0.1155 -4.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7648 1.0003 -4.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2633 0.7522 -4.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6861 0.6593 -5.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1772 0.4302 -5.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6111 0.3366 -7.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5443 -0.3369 6.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2111 -1.6777 7.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0589 -1.9224 5.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5454 -1.3738 7.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4076 -1.2702 5.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9386 -3.7049 7.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8341 -5.0775 5.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8991 -4.4527 3.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4638 -4.1548 4.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2012 -1.6915 4.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9931 -0.7905 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6585 -3.5811 2.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2203 -2.8467 0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9935 -1.8473 2.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9938 -1.0279 0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5929 -2.1917 -0.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9932 -2.1720 -1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7249 0.3087 -0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0445 1.3986 -2.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 0.7926 -3.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -0.0396 -4.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4428 -2.2616 -3.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1949 -2.3127 -3.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1286 -0.1564 -4.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2041 0.8655 -3.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8815 0.6318 -2.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2139 -1.0946 -2.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9855 -0.6496 -0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4882 0.1883 -0.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8585 1.5456 -1.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 2.2626 -1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1014 2.8053 0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3906 1.1036 0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 2.1586 4.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4454 3.1223 3.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4772 1.0101 2.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 2.5672 4.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1609 1.4603 5.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4953 1.5544 5.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9893 0.5434 6.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2981 -0.6800 5.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6925 -1.4016 5.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 -1.5343 3.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9108 -0.9433 3.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8915 1.4306 3.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4929 0.6653 2.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1647 -0.2886 1.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 -0.6087 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2677 1.0533 -0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3278 1.8589 0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 1.8556 0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1072 2.5998 1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4428 3.3676 -1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6255 5.6331 -0.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3076 5.8639 1.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6005 4.3616 2.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2839 5.3703 1.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1009 6.2220 2.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2248 6.9503 0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0848 7.8313 1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8793 8.3163 2.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 7.3467 1.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7201 9.9313 0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 9.0525 -0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5051 10.3041 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2656 9.2885 0.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4985 11.0251 -1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2631 11.9366 0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 12.0699 1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7051 11.4172 -0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8376 12.9772 -0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3613 -3.0932 4.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9882 -2.2803 4.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 -2.8978 2.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0967 -4.3445 3.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6243 -2.8591 0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9251 -4.2489 1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5591 -4.1512 0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 -5.6492 1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8026 -3.9957 -1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3679 -5.7266 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2051 -4.8785 0.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -6.5460 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1399 -6.2696 -1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4964 -6.4988 -2.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8122 -4.1791 -2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -3.6902 -2.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2644 -5.6381 -4.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7124 -3.9378 -4.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4826 -6.1590 -3.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6399 -5.3110 -4.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1823 -4.5320 -3.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8982 -4.0052 -2.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9717 -2.4612 -4.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6307 -1.2918 -5.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7284 -2.6074 -5.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5954 -3.5074 -4.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2775 -1.6864 -4.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8581 -1.3617 -3.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1746 -0.1560 -5.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8785 0.1430 -4.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4743 1.0742 -3.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4908 1.9388 -4.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7748 1.6163 -3.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5313 -0.1369 -3.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1433 -0.1517 -6.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4162 1.6197 -6.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4265 -0.5360 -5.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7469 1.2707 -5.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4851 -0.3278 -7.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7714 -0.1241 -7.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8405 1.3539 -7.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 0 25106 1 0 26107 1 6 27108 1 0 27109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 46138 1 0 46139 1 0 47140 1 0 47141 1 0 47142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 67174 1 0 68175 1 0 68176 1 0 69177 1 0 69178 1 0 70179 1 0 70180 1 0 71181 1 0 71182 1 0 71183 1 0 M END