HMDB0052086 RDKit 3D TG(24:1(15Z)/18:1(9Z)/18:3(9Z,12Z,15Z)) 181180 0 0 0 0 0 0 0 0999 V2000 -2.2367 0.5287 3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8948 0.5227 4.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3005 -0.7960 4.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -1.1020 3.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6985 -0.0837 3.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 0.0456 3.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0949 -0.1728 3.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4096 -0.5943 2.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3022 0.4647 1.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5321 0.2615 1.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1905 -1.0441 1.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8191 -1.4820 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0682 -1.6475 -1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9483 -2.6621 -1.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4943 -2.6675 -2.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 -3.6071 -3.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0756 -3.3734 -2.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1179 -4.4131 -2.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5053 -5.4723 -3.5029 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7604 -4.2679 -2.7503 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1437 -5.2576 -3.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5763 -4.9779 -3.0020 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0847 -4.7579 -1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7422 -3.7080 -0.8874 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8642 -3.0101 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -3.4782 -0.0658 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -1.6621 0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7158 -0.5971 -0.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0675 0.7251 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6457 1.9214 -0.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0778 3.2037 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6472 4.4189 -0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0956 5.6921 -0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 5.7502 1.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9926 7.0065 1.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 6.7336 3.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 7.8281 4.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1436 7.7069 5.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5667 6.6286 6.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3405 5.2404 6.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3994 4.3561 6.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1208 4.7132 8.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5759 3.8186 9.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7692 2.3719 9.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2026 1.4924 10.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4015 0.0283 9.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1536 -0.8888 10.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0502 -2.3463 10.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5091 -3.2823 11.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3071 -6.1427 -3.5351 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2812 -5.8994 -4.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 -4.6865 -4.8246 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0735 -6.9896 -5.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1211 -6.4810 -6.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5996 -5.7083 -7.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7083 -5.1936 -8.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1286 -4.4106 -9.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2944 -3.2447 -8.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7786 -2.4120 -10.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9607 -1.3302 -9.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7113 -1.1419 -9.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9328 -1.9235 -10.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3014 -2.6581 -10.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4149 -1.9594 -9.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -1.4155 -8.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0124 -0.5403 -7.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1665 -1.1150 -6.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7387 0.0177 -5.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9297 -0.5020 -5.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2374 -0.0721 2.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0491 0.1021 4.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5024 1.5868 3.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3132 1.3739 3.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2192 0.7740 5.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8993 -1.5733 4.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -2.1118 3.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8069 -0.5112 2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2408 0.9121 2.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7682 0.3643 4.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9932 -0.0570 4.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5446 -0.6063 1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9193 -1.5460 2.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8906 1.4644 1.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1556 1.1123 0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6636 -1.8434 1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1199 -0.8162 1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6494 -0.7134 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4674 -2.4079 0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7092 -0.6481 -1.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7913 -1.9700 -2.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 -2.3460 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3912 -3.6529 -1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4128 -2.8943 -3.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2491 -1.6017 -3.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7663 -4.6529 -2.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2712 -3.5461 -4.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6955 -2.3943 -2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1803 -3.3215 -1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 -6.2331 -2.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0963 -5.5642 -4.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8758 -4.0688 -3.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9697 -5.7658 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2318 -4.7593 -1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5773 -1.6026 1.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2694 -1.6056 0.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3848 -0.6942 -0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2213 -0.7737 -1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1566 0.7701 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5368 0.8232 0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4608 1.9489 -0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 1.9136 -1.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6894 3.1759 0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1761 3.1631 -0.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4235 4.4057 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 4.4208 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7307 6.5531 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1947 5.7574 -0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 5.6711 1.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0033 4.9063 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 7.9086 1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0768 7.0408 2.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7915 5.7426 3.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7249 6.6489 3.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8274 7.9027 4.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4061 8.8057 3.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 8.6925 6.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 7.7626 5.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7237 6.7359 6.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1976 6.9206 7.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8595 4.7943 5.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4718 3.3276 6.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0436 5.7318 8.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 4.4055 8.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 4.0173 9.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0275 4.1047 10.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8764 2.1465 9.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4159 2.0375 8.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8572 1.7273 10.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 1.6941 11.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -0.1671 9.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1912 -0.1449 8.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2542 -0.7262 10.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -0.7399 11.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1481 -2.5532 10.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3641 -2.5664 9.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1072 -4.1986 11.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5275 -3.6499 11.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6684 -2.7208 12.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5005 -7.5946 -4.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4113 -7.6829 -5.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9456 -5.9426 -5.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6382 -7.3946 -6.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -6.3602 -7.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9598 -4.8974 -6.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4644 -4.5977 -7.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2741 -6.0866 -8.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9856 -3.9916 -9.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5728 -5.0539 -9.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3692 -3.6417 -8.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8218 -2.6061 -8.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7193 -1.9416 -10.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3785 -3.0301 -10.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4653 -0.6529 -8.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2344 -0.2564 -9.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5645 -1.2394 -11.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6222 -2.5951 -11.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6131 -3.2219 -11.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0778 -3.5405 -9.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6697 -1.1275 -10.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 -2.6251 -9.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 -2.2978 -7.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8002 -0.9475 -8.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 0.4911 -7.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7363 -0.2826 -6.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9634 -1.5654 -7.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2807 -1.8954 -6.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 0.7836 -6.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0676 0.3802 -5.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1462 0.1197 -4.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6678 -1.5173 -4.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8204 -0.6089 -5.7461 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 1 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 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 22 50 1 0 50 51 1 0 51 52 2 0 51 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 2 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 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 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 12 88 1 0 13 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 21 99 1 0 21100 1 0 22101 1 6 23102 1 0 23103 1 0 27104 1 0 27105 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 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 46140 1 0 46141 1 0 47142 1 0 47143 1 0 48144 1 0 48145 1 0 49146 1 0 49147 1 0 49148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 58160 1 0 59161 1 0 59162 1 0 60163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 65172 1 0 66173 1 0 66174 1 0 67175 1 0 67176 1 0 68177 1 0 68178 1 0 69179 1 0 69180 1 0 69181 1 0 M END