HMDB0052981 RDKit 3D TG(18:3(6Z,9Z,12Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 161160 0 0 0 0 0 0 0 0999 V2000 1.8470 -8.0301 -1.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6022 -6.7387 -0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -7.0893 0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2553 -6.8289 1.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9073 -6.1531 1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -4.8834 1.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 -4.6264 2.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -5.6233 2.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9642 -6.1908 3.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7604 -6.0150 4.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8432 -5.0851 5.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9345 -5.8888 6.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6818 -5.8249 6.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3353 -4.8791 6.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0265 -3.7694 5.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -3.4499 4.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6233 -4.1532 3.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -3.1254 3.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2932 -1.9370 2.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 -2.2610 1.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0608 -3.3271 0.6571 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9487 -1.3794 0.5469 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4645 -1.7185 -0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4918 -0.7812 -1.3362 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1148 -1.3322 -2.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2758 -0.5601 -2.9462 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0535 -0.8542 -4.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6319 -1.8700 -4.7155 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2551 -0.2304 -4.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7878 0.9790 -3.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1370 0.8508 -2.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8122 2.1817 -1.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1602 2.1349 -0.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7734 3.0414 0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9735 4.1747 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6904 4.4896 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0141 3.8556 1.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 2.6070 2.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 2.9307 3.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8075 2.3789 4.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7545 1.4006 4.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4239 1.9970 4.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4221 2.3328 6.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9295 2.9304 6.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1459 4.1899 5.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0697 0.5234 -1.5846 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8037 1.6168 -1.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8612 1.3847 -0.5476 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4144 3.0332 -1.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5387 3.3640 -2.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 4.8062 -3.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 5.1994 -4.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7623 4.3771 -5.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1774 4.5692 -4.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6698 5.9852 -4.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0674 6.1614 -4.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 5.2578 -5.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4373 5.5209 -4.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2089 4.6755 -4.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8444 3.2910 -3.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7774 2.2768 -4.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3290 0.8687 -3.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3727 0.6461 -2.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9325 -0.7881 -2.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9823 -1.0494 -0.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8413 -8.5094 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2166 -7.8361 -2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4529 -8.7336 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6352 -6.2212 -0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8496 -6.1106 -0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2027 -7.6222 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2408 -7.1694 2.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7646 -5.9559 -0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8048 -6.8331 1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5852 -4.0385 1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5804 -3.6408 2.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3856 -5.0674 1.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3667 -6.4342 1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7726 -7.0106 3.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3674 -6.6636 5.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2106 -4.5426 4.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4275 -4.4327 6.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4722 -6.7453 6.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2606 -6.6450 7.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2337 -5.4498 5.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -4.4296 7.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8168 -3.0602 5.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1282 -2.5651 3.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4587 -4.4836 2.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1009 -4.9637 4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0824 -2.8074 4.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6414 -3.5954 2.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1901 -1.2570 2.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -1.3151 3.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3798 -1.7377 -1.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1345 -2.7785 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4153 -0.7110 -0.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3314 -2.3849 -2.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 -1.2420 -3.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0976 -0.9718 -4.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0359 0.0653 -5.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7482 1.3003 -4.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1073 1.8512 -4.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7879 -0.0095 -2.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1963 0.7418 -1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1248 2.9455 -2.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7532 2.1839 -2.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7932 1.2734 -0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1577 2.8986 1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6955 5.1049 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8479 4.3674 -1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1786 5.4609 0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0134 4.3092 1.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4657 1.9296 2.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2262 2.0405 1.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3252 3.6599 3.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9701 2.6595 5.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7039 0.8815 3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9381 0.5608 4.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1998 2.9301 4.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4045 1.2851 4.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 1.4109 6.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1952 3.0751 6.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9232 3.1838 7.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 2.1884 6.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 4.9832 6.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7925 4.0034 4.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1584 4.5226 5.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6325 3.1855 -1.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0722 3.7090 -0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 3.2026 -3.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0524 2.6714 -3.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8044 5.0357 -2.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9116 5.4324 -2.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 6.2545 -4.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2276 4.9845 -4.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5116 3.3116 -5.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7158 4.7739 -6.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3311 4.2239 -3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8188 3.9461 -5.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9604 6.6711 -4.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6767 6.3297 -6.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0581 5.8226 -3.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3798 7.2054 -4.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0204 5.5750 -6.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7972 4.2006 -5.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8234 6.5551 -4.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1980 5.0441 -3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8144 3.0425 -4.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0056 3.1438 -2.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8374 2.4493 -4.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7068 2.4130 -5.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9607 0.1468 -4.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2723 0.7343 -4.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3593 0.8014 -2.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6453 1.3055 -1.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6029 -1.5056 -2.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8871 -0.8924 -2.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8669 -0.5423 -0.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0381 -0.7476 -0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1236 -2.1311 -0.5740 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 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 2 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 24 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 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 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 0 23 96 1 0 24 97 1 1 25 98 1 0 25 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 45128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 59148 1 0 60149 1 0 60150 1 0 61151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 65161 1 0 M END