HMDB0047304 RDKit 3D TG(24:0/20:3(5Z,8Z,11Z)/20:2n6) 193192 0 0 0 0 0 0 0 0999 V2000 -0.2424 -1.0521 -1.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1692 -0.6036 -0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -1.7394 0.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -2.7949 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4554 -2.4871 1.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2456 -1.5938 0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3136 -1.9756 -0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9298 -3.2891 -0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3221 -4.4110 0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9251 -5.1502 1.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2763 -5.0834 1.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3439 -4.7808 3.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7322 -5.0111 3.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9069 -4.6673 5.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9446 -3.1819 5.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9945 -2.8174 6.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6201 -3.0264 7.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6976 -1.9826 6.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 -2.0040 7.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5728 -0.8161 6.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3034 0.0763 6.3256 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 -0.5929 6.9174 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8315 0.6420 6.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4182 0.9600 6.2102 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3487 2.3671 5.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0957 2.1470 4.3153 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 3.0121 3.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9626 4.1796 3.3726 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2379 2.5087 2.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 3.5596 1.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4338 2.8400 0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8851 3.6892 -1.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7352 2.7998 -1.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2743 3.4829 -3.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1164 2.5084 -3.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2680 1.3140 -4.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0874 1.7257 -5.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2871 0.5087 -5.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1097 0.7401 -6.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0839 1.7040 -5.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4718 1.3263 -4.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5474 2.3589 -4.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6905 2.5058 -5.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6633 3.5537 -4.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2149 3.1782 -3.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2318 4.2243 -2.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6355 5.5961 -2.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 6.5219 -2.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2883 7.9334 -2.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4621 8.7949 -1.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0400 10.2468 -1.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2357 0.0317 5.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 -0.4378 5.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1418 0.0106 6.5482 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1652 -1.4178 4.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 -1.4221 4.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3177 -2.4865 3.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7798 -2.4690 4.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5707 -2.2675 3.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1015 -2.0394 1.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5637 -0.7406 1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3276 -0.5415 0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8258 -1.6651 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3324 -1.5248 -2.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6019 -2.4308 -2.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 -3.6725 -1.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6791 -3.7192 -1.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2945 -5.0213 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7904 -5.0916 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1173 -5.1438 -2.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4535 -6.3104 -3.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0177 -7.6192 -2.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5354 -8.1223 -1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2193 -0.2651 -2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4055 -1.9549 -1.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2656 -1.3259 -1.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8523 -0.0604 -0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8653 0.1839 0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9492 -2.2668 0.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2041 -1.3349 1.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0457 -3.2645 -0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6219 -3.6000 1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9675 -3.2952 1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2561 -1.7943 2.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9893 -0.5158 0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8180 -1.1648 -0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0367 -3.2534 -0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8959 -3.5309 -1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2715 -4.6618 -0.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2525 -5.9801 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9326 -4.3989 1.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7332 -6.1125 1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6458 -5.4314 3.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0568 -3.7398 3.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4827 -4.4119 3.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0571 -6.0776 3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1017 -5.1606 5.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9089 -5.0578 5.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8322 -2.7984 4.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0633 -2.7479 4.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7761 -3.3573 7.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1985 -1.7250 6.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8160 -2.9981 8.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2710 -4.0258 7.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7176 -1.8389 5.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1197 -0.9908 7.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 -2.9131 7.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2362 -1.9402 8.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3574 1.4925 6.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3112 0.6857 5.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1492 1.1555 7.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6933 2.6374 5.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8425 3.1197 6.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1659 2.0450 2.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6214 1.7493 1.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0706 4.4333 1.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6117 3.7866 0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3733 2.4617 0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9286 1.9336 -0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9963 4.0205 -1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4713 4.5673 -0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5169 2.2660 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0304 1.9816 -2.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4683 3.9476 -3.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9691 4.2790 -2.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9368 2.1708 -3.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4148 3.0413 -4.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9617 0.6839 -3.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8936 0.6564 -4.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4603 2.1957 -6.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 2.4015 -4.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9567 -0.2182 -6.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9848 -0.0284 -4.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 1.0635 -7.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5808 -0.2410 -6.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2661 1.7000 -6.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4563 2.7395 -5.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2198 1.1472 -3.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1081 0.3731 -4.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9107 2.0189 -3.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0525 3.3471 -4.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2899 1.5454 -5.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3146 2.7208 -6.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 3.7217 -5.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 4.5185 -4.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 3.2377 -2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7212 2.2103 -3.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5787 3.8831 -1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0492 4.2059 -3.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3661 5.9423 -3.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8119 5.6231 -1.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1346 6.1660 -1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5238 6.4849 -3.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4828 8.0766 -1.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9429 8.3474 -3.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2839 8.7607 -2.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8741 8.4351 -0.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9334 10.3503 -1.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4468 10.8647 -2.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4519 10.6571 -0.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7827 -2.4322 4.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8781 -1.2490 3.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8601 -1.7249 5.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1032 -0.4211 4.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9942 -3.4616 4.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8847 -2.5371 2.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2487 -2.6302 5.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6412 -2.2641 3.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9922 -2.0390 1.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4462 -2.9270 1.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2465 0.1418 1.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6455 0.4653 -0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9682 -1.4379 -0.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8117 -2.6292 -0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5795 -0.6250 -2.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2361 -2.2821 -3.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 -3.8894 -0.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4511 -4.5495 -2.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3134 -2.8996 -1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2451 -3.6562 -2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7896 -5.8717 -1.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6445 -4.8726 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4798 -5.8665 -0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4672 -4.1134 -0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3164 -4.2241 -3.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0103 -5.0659 -2.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0212 -6.2174 -4.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 -6.3473 -3.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1689 -8.4037 -3.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 -7.5567 -2.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8062 -8.0260 -0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6034 -9.2610 -1.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5514 -7.7833 -1.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 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 1 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 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 24 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 2 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 71 72 1 0 72 73 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 3 80 1 0 4 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 7 86 1 0 8 87 1 0 8 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 12 94 1 0 13 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 15100 1 0 16101 1 0 16102 1 0 17103 1 0 17104 1 0 18105 1 0 18106 1 0 19107 1 0 19108 1 0 23109 1 0 23110 1 0 24111 1 1 25112 1 0 25113 1 0 29114 1 0 29115 1 0 30116 1 0 30117 1 0 31118 1 0 31119 1 0 32120 1 0 32121 1 0 33122 1 0 33123 1 0 34124 1 0 34125 1 0 35126 1 0 35127 1 0 36128 1 0 36129 1 0 37130 1 0 37131 1 0 38132 1 0 38133 1 0 39134 1 0 39135 1 0 40136 1 0 40137 1 0 41138 1 0 41139 1 0 42140 1 0 42141 1 0 43142 1 0 43143 1 0 44144 1 0 44145 1 0 45146 1 0 45147 1 0 46148 1 0 46149 1 0 47150 1 0 47151 1 0 48152 1 0 48153 1 0 49154 1 0 49155 1 0 50156 1 0 50157 1 0 51158 1 0 51159 1 0 51160 1 0 55161 1 0 55162 1 0 56163 1 0 56164 1 0 57165 1 0 57166 1 0 58167 1 0 59168 1 0 60169 1 0 60170 1 0 61171 1 0 62172 1 0 63173 1 0 63174 1 0 64175 1 0 65176 1 0 66177 1 0 66178 1 0 67179 1 0 67180 1 0 68181 1 0 68182 1 0 69183 1 0 69184 1 0 70185 1 0 70186 1 0 71187 1 0 71188 1 0 72189 1 0 72190 1 0 73191 1 0 73192 1 0 73193 1 0 M END