HMDB0045184 RDKit 3D TG(18:0/20:4(5Z,8Z,11Z,14Z)/24:0) 189188 0 0 0 0 0 0 0 0999 V2000 0.5855 -8.2386 9.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1219 -9.6665 9.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3034 -10.1971 8.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4339 -9.2856 7.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9564 -9.6928 6.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0645 -8.7813 5.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0868 -7.9777 4.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9761 -7.8939 3.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4821 -8.2718 2.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4764 -7.4961 1.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9307 -6.1217 1.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7469 -6.0201 0.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5976 -5.1920 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6466 -4.1849 -0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8236 -4.4984 -2.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5353 -3.5891 -2.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0525 -2.2660 -2.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9201 -1.1801 -3.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5722 0.2004 -2.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1879 0.6211 -2.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7872 -0.0791 -3.2124 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1172 1.9798 -2.5975 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4888 2.3888 -2.6366 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5498 3.2697 -3.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1256 2.5250 -5.0519 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9852 3.1132 -6.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2511 4.3248 -6.4404 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5212 2.3259 -7.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0951 3.2728 -8.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4378 2.4808 -9.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9407 3.4362 -10.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0202 4.3513 -10.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1899 3.6075 -9.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2657 4.4671 -9.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 5.3401 -8.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8581 6.1606 -7.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2705 7.0449 -6.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5559 6.2576 -5.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9823 7.1570 -4.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2624 6.2724 -3.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6515 7.1039 -2.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6556 8.1088 -2.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5204 7.4699 -3.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4712 8.5751 -3.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7893 3.3828 -1.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2281 3.0910 -0.3222 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3749 3.8317 0.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 4.8367 0.7964 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6534 3.4707 2.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 4.4029 3.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2548 4.4036 3.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4871 3.0463 4.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8111 3.1073 5.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1258 1.9182 6.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 0.6578 5.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4718 -0.5275 6.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -0.7410 7.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0729 -1.1149 6.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8675 -1.2511 7.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3186 -1.7858 6.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -0.8929 5.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6496 -1.4355 4.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -0.6056 3.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4705 -0.6611 2.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4484 -0.0212 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9572 -0.1004 0.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 -1.5052 0.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8989 -1.3448 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5774 -2.6555 -0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9419 -2.4539 -0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 -1.5676 -0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2177 -7.9736 10.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 -8.0453 8.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3146 -7.5525 9.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7505 -9.6655 10.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8894 -10.3098 9.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5774 -10.0613 7.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -11.2456 8.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0312 -8.2639 7.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2326 -9.3589 8.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -10.7211 6.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1828 -9.7104 5.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9667 -8.7494 6.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9976 -7.3499 4.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -8.6338 4.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 -6.9249 3.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8933 -9.2831 2.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8714 -7.8717 0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6379 -5.8567 2.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 -5.4663 1.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0802 -6.7121 1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3416 -5.1647 -0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2249 -3.2262 -0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6315 -4.3839 -0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1909 -5.4806 -2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6609 -3.8152 -3.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0405 -2.1655 -3.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8961 -1.9745 -1.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8948 -1.2681 -4.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9866 -1.3586 -2.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1719 0.8955 -3.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9911 0.4015 -1.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2252 1.6429 -2.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6291 3.4839 -4.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0207 4.2111 -3.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2738 1.6132 -7.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3914 1.7311 -7.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 3.9214 -8.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7401 3.8725 -8.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1633 1.7750 -9.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4228 1.8971 -10.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2788 2.8430 -11.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1057 4.0770 -11.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3553 4.9607 -11.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 5.0758 -9.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9292 2.7459 -9.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6905 3.1087 -10.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0254 3.7615 -8.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7977 5.1053 -9.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3304 4.6849 -7.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9743 6.0371 -8.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3446 6.8097 -8.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6351 5.5408 -6.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5198 7.7407 -6.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0411 7.6726 -5.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2117 5.5108 -4.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6544 5.7119 -5.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2219 7.8242 -4.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7177 7.7716 -3.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9299 5.5195 -2.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4196 5.7201 -3.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1272 6.3941 -1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4169 7.6095 -1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1041 8.8770 -3.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2551 8.6312 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0783 6.7911 -2.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 6.8852 -4.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2107 8.1750 -4.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0604 8.9606 -2.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9399 9.4251 -4.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 4.4317 -1.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9113 3.4568 -1.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9963 2.4566 2.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4203 3.3542 1.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 5.4585 2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1799 4.1077 4.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0691 4.6048 3.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2643 5.1673 4.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4786 2.2981 3.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6801 2.8675 5.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 4.0507 5.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5844 3.2842 4.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4874 1.8501 6.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1631 2.1024 6.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3451 0.4219 4.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0971 0.6786 4.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4565 -0.4742 6.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4719 -1.4219 5.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1654 0.0898 7.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6513 -1.6288 7.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1593 -2.0618 5.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 -0.3173 5.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6608 -0.2530 7.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0948 -1.9294 8.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1978 -2.8359 6.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 -1.6719 7.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6738 0.1248 5.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4133 -1.0308 4.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -2.4453 4.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5973 -1.4259 5.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0396 0.4420 3.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5931 -1.0482 2.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3294 -0.1379 3.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1714 -1.7217 2.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1138 -0.5319 0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6955 1.0474 1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 0.3937 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6779 0.4411 1.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6227 -1.9624 1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9383 -2.1891 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7367 -0.8822 -1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4631 -0.6511 0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9432 -3.3636 -0.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7642 -3.1083 0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4675 -3.4369 -1.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8263 -2.0125 -1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3227 -1.3274 0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8194 -2.0071 0.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0141 -0.5900 -0.5384 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 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 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 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 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 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 3 78 1 0 4 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 23103 1 6 24104 1 0 24105 1 0 28106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 36123 1 0 37124 1 0 37125 1 0 38126 1 0 38127 1 0 39128 1 0 39129 1 0 40130 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 44140 1 0 45141 1 0 45142 1 0 49143 1 0 49144 1 0 50145 1 0 50146 1 0 51147 1 0 51148 1 0 52149 1 0 52150 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 71189 1 0 M END