HMDB0055920 RDKit 3D TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/O-18:0) 184183 0 0 0 0 0 0 0 0999 V2000 -7.8503 -0.1324 -5.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2385 1.1580 -5.9514 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0758 2.1238 -4.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8071 2.5518 -4.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7478 1.9283 -5.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9147 2.7132 -6.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5957 2.7331 -6.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8678 1.9090 -5.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1452 0.7864 -5.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 0.6335 -5.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1691 1.2602 -5.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2484 2.4657 -4.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5409 2.7095 -3.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8999 1.8972 -1.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 0.4617 -1.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2286 -0.1848 -1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2128 0.3674 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4083 0.2321 1.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3982 -0.3552 2.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6852 -1.0028 1.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7459 -2.4360 2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5286 -3.1797 1.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3815 -2.5434 1.3798 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -4.5477 2.1086 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6547 -5.3468 1.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1371 -5.2705 0.4418 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5501 -5.8482 0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4224 -4.9118 -0.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 -3.8885 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3526 -2.6941 0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2005 -1.6944 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7269 -0.3671 1.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2244 -0.1330 1.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4376 1.3885 0.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 1.8423 1.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5656 1.4812 2.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7376 1.9295 3.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5293 1.6558 4.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8526 1.8639 6.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1335 3.1275 6.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8562 3.3647 5.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8452 2.2440 5.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6062 2.1841 7.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6289 1.0621 7.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2752 1.2203 7.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5842 2.4902 7.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2596 -5.5643 -0.5879 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1033 -4.8796 -1.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4049 -3.7795 -1.9484 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1748 -5.4424 -2.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9723 -6.8811 -2.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 -7.5555 -3.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3519 -7.5625 -3.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0530 -6.2567 -3.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5017 -6.3476 -3.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2145 -5.0052 -3.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4889 -4.0368 -2.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1739 -2.6819 -2.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2597 -1.8613 -1.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8224 -0.4805 -0.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7741 0.1685 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0874 1.2136 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4068 2.2350 -1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8380 3.4769 -0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7591 4.0229 0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5658 4.4519 -0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4366 4.9717 0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3327 5.4136 -0.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9012 5.9172 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9354 6.3077 -0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7593 0.0219 -4.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1103 -0.6036 -4.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9421 -0.8865 -6.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0027 1.5762 -6.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3635 0.9418 -6.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9236 2.5216 -4.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7333 3.2308 -3.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9188 0.8536 -5.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0146 1.6748 -4.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4225 3.3792 -6.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0747 3.3724 -6.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4387 1.5754 -4.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 2.5729 -4.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8095 0.1166 -6.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4519 -0.3245 -6.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0795 1.2593 -5.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 0.4653 -4.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0465 3.4094 -4.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5551 3.8364 -2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 2.2608 -1.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0058 2.2086 -1.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7251 -0.1526 -2.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3973 -1.3023 -0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7901 -0.0759 -0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0248 1.4937 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3406 0.6308 1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1752 -0.4088 3.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7352 -1.1348 0.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -0.4117 2.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6211 -2.9400 1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8081 -2.3912 3.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4886 -4.9681 2.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5018 -6.3975 2.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -4.1499 0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9823 -6.0387 1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -6.7156 -0.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3191 -4.3211 1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7647 -3.5739 1.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -2.2696 -0.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4197 -2.9836 -0.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4886 -2.2684 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0685 -1.6263 1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4037 0.2180 2.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2424 0.2492 0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -0.6029 1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5498 -0.5566 0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7428 1.8920 1.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0615 1.7027 -0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9111 2.9270 0.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3924 1.3625 0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5132 2.0485 2.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7628 0.4231 2.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7776 1.4582 3.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6772 3.0568 3.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7610 0.5196 4.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5674 2.0941 4.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5370 1.6215 6.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0621 1.0485 6.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9713 3.2453 7.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8055 4.0111 6.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8907 3.5843 4.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4064 4.2967 6.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1892 1.2769 5.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8788 2.4572 5.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1392 3.1173 7.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5221 1.9934 7.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6141 0.9370 8.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0738 0.1215 7.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.0925 6.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6498 0.3807 7.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6298 2.5984 7.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1707 3.4029 7.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2479 2.3419 8.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2886 -4.8603 -3.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 -5.3008 -1.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9587 -7.4538 -1.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -7.0139 -3.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5872 -8.6413 -3.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7555 -7.1860 -4.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5713 -7.9390 -2.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8655 -8.3500 -4.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1455 -6.0664 -4.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5968 -5.3642 -3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0691 -7.0014 -3.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6093 -6.8796 -2.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3501 -4.6613 -4.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2556 -5.1097 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5278 -3.7610 -2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3617 -4.4882 -1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3763 -2.2217 -3.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1496 -2.8567 -1.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9884 -2.3443 -0.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2739 -1.6768 -1.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7263 -0.6383 -0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9934 0.0101 -1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4718 -0.5406 0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3326 1.5257 0.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2388 1.8725 -1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4828 2.3421 -1.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7343 3.2222 0.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2158 4.2607 -1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1399 4.9853 0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4821 3.3795 1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8525 5.3204 -1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2078 3.6621 -1.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8348 5.7391 1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0522 4.1377 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7249 6.2594 -1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 4.5792 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6743 6.8466 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 5.1525 1.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7322 6.9178 -0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4024 6.8675 -1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 5.4065 -1.2202 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 2 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 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 26 47 1 0 47 48 1 0 48 49 2 0 48 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 2 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 1 71 1 0 1 72 1 0 1 73 1 0 2 74 1 0 2 75 1 0 3 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 7 81 1 0 8 82 1 0 8 83 1 0 9 84 1 0 10 85 1 0 11 86 1 0 11 87 1 0 12 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 19 97 1 0 20 98 1 0 20 99 1 0 21100 1 0 21101 1 0 25102 1 0 25103 1 0 26104 1 6 27105 1 0 27106 1 0 29107 1 0 29108 1 0 30109 1 0 30110 1 0 31111 1 0 31112 1 0 32113 1 0 32114 1 0 33115 1 0 33116 1 0 34117 1 0 34118 1 0 35119 1 0 35120 1 0 36121 1 0 36122 1 0 37123 1 0 37124 1 0 38125 1 0 38126 1 0 39127 1 0 39128 1 0 40129 1 0 40130 1 0 41131 1 0 41132 1 0 42133 1 0 42134 1 0 43135 1 0 43136 1 0 44137 1 0 44138 1 0 45139 1 0 45140 1 0 46141 1 0 46142 1 0 46143 1 0 50144 1 0 50145 1 0 51146 1 0 51147 1 0 52148 1 0 52149 1 0 53150 1 0 53151 1 0 54152 1 0 54153 1 0 55154 1 0 55155 1 0 56156 1 0 56157 1 0 57158 1 0 57159 1 0 58160 1 0 58161 1 0 59162 1 0 59163 1 0 60164 1 0 60165 1 0 61166 1 0 62167 1 0 63168 1 0 63169 1 0 64170 1 0 64171 1 0 65172 1 0 65173 1 0 66174 1 0 66175 1 0 67176 1 0 67177 1 0 68178 1 0 68179 1 0 69180 1 0 69181 1 0 70182 1 0 70183 1 0 70184 1 0 M END