HMDB0053014 RDKit 3D TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/20:2n6) 169168 0 0 0 0 0 0 0 0999 V2000 -2.6934 6.3293 7.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7161 5.0074 6.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9040 4.7922 5.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0875 5.7742 4.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9221 5.7799 3.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2226 6.7550 2.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3744 6.4387 1.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2486 5.0374 0.8942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1918 4.9058 -0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3815 4.4583 -1.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7363 4.0586 -1.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 2.6274 -2.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2449 2.0828 -3.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6771 2.8935 -4.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9221 2.6233 -5.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4301 2.8721 -5.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8862 2.4749 -6.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4777 2.6169 -7.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 3.6241 -7.8817 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4378 1.6711 -6.7587 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8095 1.8360 -7.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6413 0.7222 -6.4635 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8117 1.0263 -5.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5823 1.2584 -4.3828 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6679 1.5465 -3.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7869 1.5275 -2.4815 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4665 1.8612 -2.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6048 2.1345 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5824 3.2162 -0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4844 3.4209 1.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5184 4.4128 1.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9362 3.8380 1.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0831 2.6757 2.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4564 2.0481 2.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4502 0.9322 3.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6704 0.1530 3.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7207 -1.1604 3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4999 -1.9836 2.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3888 -2.9604 4.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 -3.0178 4.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2741 -2.1019 4.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 -2.8007 4.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7902 -1.8275 4.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8788 -0.8118 3.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3185 0.1499 3.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 -0.5095 -6.7628 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -1.4037 -7.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8521 -1.0723 -7.9953 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1793 -2.7349 -7.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -3.7110 -6.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1816 -3.3082 -5.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7353 -3.4674 -5.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0577 -4.2033 -4.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7059 -4.9545 -3.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5162 -6.3952 -3.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0993 -7.0947 -2.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6769 -6.4995 -1.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1139 -6.9018 -1.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1277 -6.0811 -1.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0325 -4.6551 -1.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5102 -3.6632 -0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9176 -3.7172 -0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3351 -4.8494 0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5720 -4.7908 1.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9775 -5.9262 2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -5.8732 4.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6469 -7.0250 4.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6985 6.7720 7.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2217 6.2107 8.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0706 7.0351 6.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7345 4.2221 7.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7453 4.8429 6.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8141 4.8510 6.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8706 3.7375 5.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2426 6.7719 5.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0066 5.4976 4.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0803 6.2614 4.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 4.8209 3.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3186 7.8118 2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5981 7.2504 0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2792 4.7858 0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1348 4.2995 1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1729 5.2042 0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5359 4.4012 -1.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5836 4.4500 -1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8186 4.5990 -2.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5344 1.9139 -1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 0.9661 -3.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7458 3.9717 -4.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7661 2.5809 -4.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 1.5406 -5.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3053 3.2317 -6.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9724 2.3076 -4.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2048 3.9573 -5.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 1.3912 -7.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4654 3.0745 -7.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 1.8427 -8.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1273 2.7907 -6.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 0.8000 -6.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4783 1.9288 -4.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3561 0.2004 -4.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2289 0.9703 -2.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1274 2.6763 -2.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3986 2.5116 -0.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7984 1.2318 -0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6201 3.0313 -0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2718 4.1428 -0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5121 2.4454 1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4874 3.8630 1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 5.2909 0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2741 4.7034 2.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 4.6540 1.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1469 3.6645 0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3021 1.8967 2.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 2.9855 3.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2642 2.7367 2.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5562 1.5189 1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3290 1.4660 4.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5046 0.4126 3.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6528 0.6341 3.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6943 -1.6947 3.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5909 -1.4357 2.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6471 -2.6148 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2047 -3.6958 4.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 -3.7876 5.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -1.2857 4.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2467 -1.6485 5.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8174 -3.5049 5.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 -3.4002 3.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7015 -1.3589 5.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1588 -2.4245 4.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8887 -1.2901 2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7728 -0.1622 3.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0531 1.0560 3.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2401 -0.3144 3.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 0.4169 4.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6023 -3.0000 -8.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1077 -2.8104 -7.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -4.7107 -7.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8105 -3.7380 -6.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3952 -2.2130 -5.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7448 -3.8399 -4.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1681 -2.9296 -6.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0492 -4.2806 -4.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8049 -4.6984 -3.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2839 -4.4843 -2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 -6.9040 -4.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2024 -8.1807 -2.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5618 -5.4502 -1.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2304 -7.0282 -0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3424 -7.9702 -1.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1387 -6.5422 -1.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 -4.4388 -2.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0101 -4.3736 -2.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3571 -2.6370 -1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8765 -3.6266 0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6291 -3.6251 -1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1196 -2.7656 0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4114 -4.6775 0.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2216 -5.8364 0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4868 -4.7661 1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8644 -3.8399 2.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5950 -6.8656 2.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0448 -5.9591 2.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1443 -5.8307 3.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5695 -4.9313 4.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5921 -6.8209 5.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 -7.2865 5.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8383 -7.9165 4.2390 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 2 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 22 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 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 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 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 0 21 98 1 0 22 99 1 6 23100 1 0 23101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 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 37121 1 0 38122 1 0 38123 1 0 39124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 45136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END