HMDB0044731 RDKit 3D TG(18:0/16:0/20:3(5Z,8Z,11Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -7.5969 -1.0936 -0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2466 -1.4660 1.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4076 -2.6577 1.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9541 -3.1088 2.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3286 -4.2976 3.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8917 -4.3411 3.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9023 -4.3667 2.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4522 -4.3760 3.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 -3.1575 4.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3057 -2.2300 3.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4163 -2.3914 2.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6226 -1.2608 1.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 -0.4162 1.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7226 -0.4509 1.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6355 -0.6266 0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4794 -1.6134 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6089 -2.6845 1.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9133 -2.8718 2.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5234 -1.7384 2.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9974 -0.6396 2.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2184 -0.7691 1.5906 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4194 0.5225 1.6117 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 1.4913 0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5786 1.1887 -0.4891 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6529 2.1498 -0.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2920 3.4041 -1.2312 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4334 3.9424 -2.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7803 3.1045 -2.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2527 5.3878 -2.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9615 5.8439 -2.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7813 5.7862 -2.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4701 4.4469 -1.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 4.5809 -0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9563 3.2540 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2536 3.3456 1.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5128 3.6501 0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6702 3.7768 1.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9893 4.0146 0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1063 4.1898 1.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 5.4118 2.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8674 6.6285 1.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6913 7.9120 2.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4239 8.0408 3.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2172 7.9211 2.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 8.0658 2.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 1.0311 -1.5213 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5186 -0.0937 -2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2701 -1.0609 -2.0938 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5711 -0.1488 -3.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1615 -0.5557 -3.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4242 -0.4742 -4.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 -0.7938 -4.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4938 -2.1309 -4.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -3.2223 -5.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5436 -4.5488 -4.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4775 -5.1562 -3.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8747 -5.4571 -2.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6156 -6.1310 -1.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8595 -6.5481 -0.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4806 -7.2584 0.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6598 -7.7198 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5606 -6.5759 1.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7393 -7.0344 2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3732 -0.6997 -0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7630 -0.3723 -0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1358 -1.9707 -0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1529 -0.6473 1.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2912 -1.7628 0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4271 -3.4306 0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4048 -2.1383 1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0702 -3.2749 2.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9737 -2.2578 3.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9165 -4.4764 4.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6232 -5.2382 2.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7303 -5.2488 4.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7051 -3.4891 4.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9416 -3.6391 1.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0490 -5.3716 2.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4834 -5.2184 4.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7312 -4.6950 2.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8212 -2.9718 4.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2216 -1.3639 4.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3946 -2.3694 2.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6045 -3.3054 2.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6147 -1.0845 1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9547 0.3841 0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9537 -1.1519 2.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9703 0.6113 2.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5723 0.1679 -0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0736 -1.5902 -0.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4923 -3.6575 0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7371 -2.7590 2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8404 -3.7839 2.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6334 -3.2123 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8105 -1.3746 3.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4022 -2.1552 3.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4389 2.4005 0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9637 1.8104 1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2018 0.1823 -0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3469 1.6610 -1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3039 2.2464 0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0488 5.6977 -3.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5105 5.9807 -1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7589 5.2897 -3.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0346 6.9255 -3.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8341 6.1062 -2.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8609 6.5738 -1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2176 3.7242 -2.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3026 4.0426 -0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3873 5.3677 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3789 4.8142 -1.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8172 2.8949 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7699 2.5067 -0.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1055 4.1877 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3985 2.4384 1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4038 4.6304 -0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7441 2.9132 -0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4654 4.6083 1.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7366 2.8238 1.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9523 4.8024 -0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2385 3.0536 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0798 4.2045 1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0630 3.2716 2.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9799 5.3377 3.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7516 5.4597 3.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8424 6.6853 0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0869 6.5251 0.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7303 8.7982 1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5338 8.0021 3.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3846 7.2767 3.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4466 9.0677 3.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2905 8.7314 1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2784 6.9491 1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1113 7.9918 4.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1676 7.3159 2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 9.0804 2.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5356 0.8607 -3.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0481 -0.7945 -4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6681 0.1182 -2.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1395 -1.6269 -2.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6883 0.4871 -5.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9717 -1.2443 -5.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4569 -0.5460 -5.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5293 -0.0177 -3.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6051 -2.1272 -4.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4214 -2.3925 -3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2063 -2.9322 -6.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1699 -3.2426 -5.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -5.3242 -5.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6533 -4.4986 -5.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1216 -4.6215 -2.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9966 -6.1653 -3.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3788 -6.1697 -3.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5119 -4.5762 -2.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0457 -5.4168 -0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0591 -7.0047 -1.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4685 -7.2352 -1.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4855 -5.6624 -0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8563 -8.1264 0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8155 -6.5716 1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3621 -8.2371 2.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2467 -8.4602 0.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9122 -6.0278 0.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8989 -5.8492 2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6254 -8.1109 2.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7957 -6.3920 3.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7142 -6.8944 1.9039 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 1 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 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 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 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 6 76 1 0 7 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 1 25100 1 0 25101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 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 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 63167 1 0 M END