HMDB0047636 RDKit 3D TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z)) 197196 0 0 0 0 0 0 0 0999 V2000 -4.8496 -8.5309 -6.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3379 -8.7470 -6.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7893 -9.0781 -5.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8878 -8.4216 -4.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2861 -7.1776 -5.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1739 -7.3262 -5.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1103 -6.6122 -4.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 -5.4711 -3.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5402 -5.6469 -2.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9882 -5.6003 -1.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4172 -5.3675 -1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0049 -6.4351 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0844 -7.0774 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9322 -6.8328 -1.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2725 -6.4152 -1.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9082 -5.3004 -1.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3852 -4.2259 -2.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1758 -2.9008 -1.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6672 -1.9047 -2.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3536 -0.6004 -1.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1603 0.3461 -2.6968 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2298 -0.2579 -0.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 1.0394 -0.1404 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4397 1.1503 0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1113 0.2711 1.4253 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9594 -1.0802 1.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -1.5110 0.0589 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6362 -2.0710 2.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2078 -1.7106 3.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5746 -1.1651 2.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4709 -0.9380 4.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7188 -0.2501 3.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6566 -0.6649 2.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2124 -0.5300 1.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2857 -0.9254 0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7063 -0.7593 -1.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2251 0.6509 -1.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6807 0.9350 -2.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5604 0.0945 -3.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3743 0.5543 -3.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0103 1.9373 -3.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 2.3735 -4.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0196 3.8189 -4.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5801 4.3594 -5.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 5.7985 -5.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6229 6.4998 -6.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 6.6217 -7.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 7.3467 -8.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8082 1.8747 0.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1145 1.5699 1.9489 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9728 2.4625 2.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3982 3.4364 1.9108 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3700 2.3726 4.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9457 1.1714 4.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5532 -0.1248 4.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0288 -1.2990 5.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5904 -1.5100 4.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8535 -2.5514 5.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 -2.5266 7.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9624 -1.3715 7.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6786 -0.0852 7.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8222 1.0220 8.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6316 1.3588 7.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1449 2.5029 8.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3093 2.9497 7.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 3.4170 5.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9733 3.9623 4.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3919 4.4008 3.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 5.0331 2.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4864 4.1903 2.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3858 4.9807 1.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6614 5.4286 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5356 6.2439 -0.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7618 5.5609 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4219 4.3612 -2.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3579 -8.8022 -7.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0239 -7.4647 -6.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2804 -9.2203 -5.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9017 -7.9219 -7.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2952 -9.7056 -7.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1906 -9.9918 -4.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5266 -8.7395 -3.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6842 -6.9570 -6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5566 -6.3314 -4.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4784 -8.1599 -5.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1649 -6.8707 -4.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3005 -4.5733 -4.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1952 -5.3575 -3.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6688 -5.8398 -2.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7158 -5.7730 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3901 -4.4566 -0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0369 -5.0263 -1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4068 -6.6811 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4093 -7.8748 0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1645 -7.8571 -2.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6009 -6.1510 -2.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 -7.1476 -0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9116 -5.1600 -0.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3976 -4.4821 -2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1224 -4.0091 -2.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4994 -2.9894 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1779 -2.5389 -1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4131 -1.8156 -3.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7706 -2.3653 -2.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7716 1.6330 -1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7037 1.1134 -0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3773 2.2260 0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 -2.4769 2.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -2.9599 1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4012 -2.6373 3.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2393 -0.9376 4.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9676 -2.0691 2.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3824 -0.3072 2.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6146 -1.8930 4.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8351 -0.3307 4.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3427 -0.2600 4.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5718 0.8875 3.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5780 -0.0068 2.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0808 -1.6910 2.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0178 0.5532 1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3596 -1.1492 1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2138 -0.3457 0.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5550 -1.9968 0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9066 -1.5061 -1.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5322 -0.9866 -1.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9516 1.4004 -0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2882 0.7220 -0.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5362 0.5938 -3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6277 2.0022 -2.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7594 -0.9941 -3.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -0.1679 -3.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1142 2.0385 -2.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7728 2.6868 -2.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2525 2.3226 -5.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3847 1.7564 -4.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7586 3.9309 -3.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8726 4.4244 -4.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5262 3.8232 -5.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1092 4.3752 -6.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 6.3637 -4.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7616 5.7083 -4.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8937 7.5444 -6.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5878 5.9956 -6.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1301 7.2382 -7.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4502 5.6326 -8.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0145 8.0173 -9.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3534 7.9927 -8.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1531 6.6370 -9.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4456 2.9547 0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8141 1.9494 0.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4802 2.4631 4.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9657 3.2659 4.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 1.3661 5.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8276 1.1415 4.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3894 -0.3172 3.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6663 -0.1287 4.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6311 -2.1855 4.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1453 -1.0946 6.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6306 -1.8420 3.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0429 -0.5866 4.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8706 -2.7541 5.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -3.5399 5.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6137 -2.7166 7.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0069 -3.4366 7.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9313 -1.2421 7.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -1.6841 8.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1578 0.1716 6.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -0.2051 8.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4158 1.9487 8.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5175 0.7115 9.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0096 1.6847 6.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 0.4966 7.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 2.2543 9.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5254 3.3988 8.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8366 3.7934 7.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 2.0662 7.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3222 2.6492 5.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1309 4.2604 6.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7518 3.2008 4.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 4.8277 5.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 5.0899 3.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 3.4902 3.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7296 5.2391 1.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7395 6.0101 3.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1252 3.8988 3.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1606 3.2384 1.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8464 5.8312 1.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2328 4.3201 0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2384 4.5395 -0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8269 6.1238 0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9327 6.6764 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8836 7.1576 -0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3260 6.2841 -2.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 5.3109 -0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9922 4.3898 -3.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3351 4.3303 -2.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 3.4608 -1.6187 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 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 2 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 23 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 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 1 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 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 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 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 18101 1 0 18102 1 0 19103 1 0 19104 1 0 23105 1 6 24106 1 0 24107 1 0 28108 1 0 28109 1 0 29110 1 0 29111 1 0 30112 1 0 30113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 33119 1 0 34120 1 0 34121 1 0 35122 1 0 35123 1 0 36124 1 0 36125 1 0 37126 1 0 37127 1 0 38128 1 0 38129 1 0 39130 1 0 40131 1 0 41132 1 0 41133 1 0 42134 1 0 42135 1 0 43136 1 0 43137 1 0 44138 1 0 44139 1 0 45140 1 0 45141 1 0 46142 1 0 46143 1 0 47144 1 0 47145 1 0 48146 1 0 48147 1 0 48148 1 0 49149 1 0 49150 1 0 53151 1 0 53152 1 0 54153 1 0 54154 1 0 55155 1 0 55156 1 0 56157 1 0 56158 1 0 57159 1 0 57160 1 0 58161 1 0 58162 1 0 59163 1 0 59164 1 0 60165 1 0 60166 1 0 61167 1 0 61168 1 0 62169 1 0 62170 1 0 63171 1 0 63172 1 0 64173 1 0 64174 1 0 65175 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 74193 1 0 74194 1 0 75195 1 0 75196 1 0 75197 1 0 M END