HMDB0050863 RDKit 3D TG(20:1(11Z)/O-18:0/18:3(9Z,12Z,15Z)) 172171 0 0 0 0 0 0 0 0999 V2000 -8.0624 6.8901 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4259 5.5399 0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3881 5.1831 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 4.9589 0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6070 5.0356 1.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0376 3.7621 1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4366 3.0756 2.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4960 3.4754 3.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9308 3.5198 5.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9311 4.5769 5.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4729 5.8676 5.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3926 6.9516 5.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3352 6.5966 4.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1894 7.5934 4.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5112 7.5746 5.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9487 6.1890 6.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 5.7894 5.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 4.3975 5.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1593 4.2003 6.5445 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3469 3.3831 4.5739 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 2.0678 4.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 1.1611 3.6692 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9299 1.6368 2.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 1.5487 2.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0594 1.8543 1.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3603 2.1968 0.2382 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5100 1.8322 1.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8849 0.3934 0.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5769 -0.5928 1.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6629 -2.0234 1.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 -2.6850 0.7844 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2914 -2.3219 -0.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1588 -2.5777 -1.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6590 -2.2564 -2.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 -2.4186 -3.9966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0715 -2.1541 -5.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9896 -3.0468 -6.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3879 -4.3826 -6.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2221 -4.5176 -7.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5966 -5.8579 -7.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -6.1560 -5.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9801 -5.1501 -5.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2826 -5.3028 -4.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -5.2225 -2.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0927 -6.2366 -2.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9999 1.1616 3.6088 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6264 -0.0730 3.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3831 -0.9290 4.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0428 -2.2403 4.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9128 -3.2856 3.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5661 -2.9304 2.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3935 -3.9398 1.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0346 -3.3718 0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3558 -2.1331 -0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9514 -1.5089 -1.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1109 -0.2646 -1.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5069 0.5401 -3.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6279 1.7548 -3.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 1.5040 -3.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2426 0.7319 -4.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1505 1.5237 -5.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 1.0173 -7.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5544 0.7764 -7.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2204 -0.2966 -6.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8943 7.0083 1.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5637 6.8866 -0.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3663 7.7232 0.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2182 5.4755 1.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2781 4.8037 0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6344 5.0808 -1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4116 4.6871 -0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7294 5.7644 1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3085 5.5208 2.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2062 3.3888 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9605 2.0966 3.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1211 4.3041 3.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2138 2.5841 3.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4885 2.5550 5.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4865 4.5189 6.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 5.9808 4.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1990 6.1683 6.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9979 7.0669 6.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9159 7.8812 5.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8294 6.7614 3.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0229 5.5631 4.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5827 8.6196 4.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4944 7.3369 3.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6197 8.2550 5.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 7.9406 6.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7686 5.4722 6.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 6.2334 7.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2716 5.8513 4.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9569 6.4569 5.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8884 2.0995 4.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3894 1.6818 5.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7669 0.1598 3.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5977 0.8572 1.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5614 2.6165 2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8106 2.4946 0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0874 1.9535 1.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4560 0.1913 -0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0088 0.4898 0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2884 -0.4175 2.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5808 -0.3738 2.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -2.3019 0.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 -2.6172 2.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8438 -3.8009 0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7551 -2.3965 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1237 -3.0209 -0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6575 -1.3038 -0.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2523 -1.9795 -1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9240 -3.6631 -1.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0774 -1.2361 -2.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4979 -2.9549 -3.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7864 -1.6113 -3.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1185 -3.4186 -3.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 -1.1796 -5.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4134 -2.7754 -7.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1616 -5.1132 -6.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0131 -4.6882 -5.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6215 -4.3915 -8.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5246 -3.6783 -7.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7182 -5.9347 -7.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2632 -6.6904 -7.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8153 -6.2381 -4.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5172 -7.1534 -5.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2059 -5.0897 -6.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4183 -4.0928 -5.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5494 -4.5267 -3.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3091 -6.2766 -4.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3084 -5.2572 -1.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5469 -4.1972 -2.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0973 -6.4262 -1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8926 -7.1664 -3.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -5.9205 -2.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6956 0.0858 3.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2113 -0.5319 2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2622 -1.0796 4.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6447 -0.3577 5.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6725 -2.6551 5.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1496 -2.0886 5.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4534 -4.2122 4.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8649 -3.6646 3.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7265 -3.0794 2.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5761 -1.9339 2.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2939 -4.0377 1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7994 -4.9289 1.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1191 -3.1437 0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0658 -4.1613 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3131 -1.3596 0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 -2.3877 -0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8761 -2.2276 -2.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0025 -1.2467 -1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0394 -0.6119 -1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1676 0.3327 -0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5622 0.8602 -2.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4974 -0.1122 -3.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0038 2.4471 -3.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7901 2.3189 -2.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2205 0.9342 -2.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3984 2.4488 -3.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3545 0.7145 -4.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0957 -0.3101 -4.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3603 2.5454 -5.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 1.8348 -5.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2302 1.8234 -7.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4892 0.1242 -7.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6502 0.4644 -8.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 1.7048 -7.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0137 0.0693 -5.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5315 -0.9575 -6.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7613 -1.0214 -7.3386 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 2 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 22 46 1 0 46 47 1 0 47 48 1 0 48 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 63 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 16 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 21 94 1 0 21 95 1 0 22 96 1 1 23 97 1 0 23 98 1 0 27 99 1 0 27100 1 0 28101 1 0 28102 1 0 29103 1 0 29104 1 0 30105 1 0 30106 1 0 31107 1 0 31108 1 0 32109 1 0 32110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 35115 1 0 35116 1 0 36117 1 0 37118 1 0 38119 1 0 38120 1 0 39121 1 0 39122 1 0 40123 1 0 40124 1 0 41125 1 0 41126 1 0 42127 1 0 42128 1 0 43129 1 0 43130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 45135 1 0 47136 1 0 47137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 50142 1 0 50143 1 0 51144 1 0 51145 1 0 52146 1 0 52147 1 0 53148 1 0 53149 1 0 54150 1 0 54151 1 0 55152 1 0 55153 1 0 56154 1 0 56155 1 0 57156 1 0 57157 1 0 58158 1 0 58159 1 0 59160 1 0 59161 1 0 60162 1 0 60163 1 0 61164 1 0 61165 1 0 62166 1 0 62167 1 0 63168 1 0 63169 1 0 64170 1 0 64171 1 0 64172 1 0 M END