HMDB0053164 RDKit 3D TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 171170 0 0 0 0 0 0 0 0999 V2000 -4.5787 2.6355 -8.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8916 1.3868 -7.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9203 0.3170 -8.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1325 -0.2026 -7.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9924 0.1102 -5.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7498 1.1659 -5.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6488 1.0592 -4.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9991 -0.1910 -3.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8036 -0.5253 -2.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2691 0.1705 -1.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7098 1.5193 -1.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4487 2.4776 -0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8897 3.1617 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4594 3.0531 0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8394 4.4111 0.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1972 4.8788 1.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0325 4.1541 2.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4897 3.9065 3.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7965 3.1102 4.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2765 2.8448 4.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7568 2.0260 5.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 0.6851 5.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2763 -0.1044 6.4281 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2351 0.2412 4.4709 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6064 -1.0236 4.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -1.1908 3.3026 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1513 -2.3868 3.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1271 -2.1919 4.3762 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0920 -3.1764 4.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 -4.2214 3.8925 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1563 -3.0508 5.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7713 -4.3229 6.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0168 -5.1989 6.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6538 -5.5859 6.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0151 -6.4928 7.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9522 -6.1507 8.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2428 -4.8679 8.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2997 -4.1649 9.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8753 -3.0093 9.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5272 -2.2634 8.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8864 -0.9510 8.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5084 0.1796 8.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9697 0.2764 8.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5888 0.9814 7.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0451 1.2135 7.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6535 2.0389 8.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5439 1.5054 9.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6085 -1.1988 2.1493 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5406 -0.2099 1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3365 0.7240 1.5091 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 0.0142 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4019 0.9948 0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.4742 0.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7406 0.3431 0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0777 0.7441 -0.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0226 1.8605 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2027 1.9899 -1.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9649 1.0435 -2.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5300 -0.2923 -2.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2158 -0.7732 -3.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2904 0.0839 -4.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2119 -0.3471 -5.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9345 -0.6487 -7.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5351 -0.5792 -7.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 -1.9133 -8.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7755 -2.0715 -9.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6842 -0.9971 -10.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2905 -0.9181 -10.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1747 -0.6616 -9.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2199 0.6725 -9.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 1.8166 -10.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4926 2.8172 -8.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2227 3.4759 -8.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7572 2.4257 -9.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8492 0.9987 -8.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2716 1.5499 -6.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8431 -0.0990 -9.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4441 -1.0342 -7.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8575 0.3373 -5.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -0.8775 -5.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5651 2.2119 -5.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1630 1.9812 -3.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7028 -1.0944 -4.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1618 -0.2656 -3.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1939 -1.5669 -1.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2268 -0.2970 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4658 1.8909 -2.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6767 1.4070 -0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5143 2.6002 -0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4827 3.8393 0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4079 2.5849 1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8596 2.3791 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9738 4.9412 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7494 5.8861 1.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 4.9031 3.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4935 3.2157 3.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 3.2971 2.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0496 4.8398 2.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6178 3.7659 5.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1598 2.2460 4.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4584 2.1977 3.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8533 3.7551 4.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6323 2.5058 6.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8468 1.8314 5.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3841 -1.8394 4.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0296 -1.0848 5.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8653 -0.2786 3.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6204 -3.3424 3.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6778 -2.4217 2.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9541 -2.3887 5.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8414 -2.4357 6.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8027 -4.0818 6.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0860 -4.9542 5.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6324 -6.1706 7.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9866 -4.7790 8.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0026 -4.7808 6.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7964 -6.2651 5.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4623 -7.4845 7.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5248 -6.8563 8.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8741 -5.1930 7.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4101 -4.3053 7.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1659 -4.6369 10.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8907 -2.5247 10.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 -2.7688 7.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -2.2484 8.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1906 -0.9193 8.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0002 1.1591 8.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0218 1.0076 9.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4585 -0.6242 8.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3069 0.3779 6.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0563 1.9552 7.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6109 0.2246 7.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2807 1.7235 6.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7616 2.1905 8.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2543 3.0874 8.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8126 2.0790 10.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5302 1.5949 10.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2824 0.4339 9.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6252 -0.9454 -0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 0.4119 -0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9051 1.8828 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7028 1.4359 -0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3146 0.1562 2.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4926 -0.0488 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1523 1.0162 -1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4650 -0.1403 -1.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6274 2.7502 -0.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7151 2.9912 -1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9678 0.8676 -1.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4135 1.6209 -2.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4838 -1.0138 -1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9085 -1.8205 -3.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2458 0.2174 -5.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6424 1.1138 -4.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2760 -0.4258 -5.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7365 -0.9522 -7.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3817 0.2613 -8.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8528 -0.4151 -6.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2111 -2.7223 -7.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5023 -3.0919 -9.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -0.0356 -10.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3060 -1.3669 -11.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 -0.1040 -11.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1335 -1.9073 -11.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9611 -1.4911 -9.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2348 -0.6252 -10.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1709 0.7718 -8.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3456 0.8184 -8.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3723 1.6036 -10.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8859 2.7698 -9.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 1.8603 -10.8044 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 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 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 0 25106 1 0 26107 1 6 27108 1 0 27109 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 36119 1 0 37120 1 0 37121 1 0 38122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 47138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 66160 1 0 67161 1 0 67162 1 0 68163 1 0 68164 1 0 69165 1 0 69166 1 0 70167 1 0 70168 1 0 71169 1 0 71170 1 0 71171 1 0 M END