HMDB0050903 RDKit 3D TG(20:3(5Z,8Z,11Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 164163 0 0 0 0 0 0 0 0999 V2000 2.1610 6.9971 3.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9059 5.6685 3.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2995 4.5920 3.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8268 3.4845 3.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8894 3.2613 5.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7121 2.0619 5.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 1.0387 6.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9014 0.9052 6.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 0.7722 8.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7054 -0.2800 8.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0767 -1.5097 8.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9864 -2.6391 8.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4422 -3.3322 7.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0723 -3.0683 5.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -4.3885 5.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1506 -4.8900 4.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2097 -4.2226 3.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5089 -4.8804 3.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 -5.1945 2.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3456 -4.9562 0.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1006 -3.9360 -0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3592 -3.7600 -1.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6465 -4.7596 -1.6379 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3705 -2.6284 -2.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5501 -2.7400 -3.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5581 -1.4551 -4.0972 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8187 -0.4302 -3.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -0.9792 -3.1348 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4405 -0.9016 -4.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -0.2647 -5.2022 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7548 -1.5252 -4.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7364 -0.9761 -3.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2217 0.4246 -3.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7783 0.5616 -4.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4024 1.4552 -5.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3846 2.5012 -5.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0498 3.8406 -5.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2422 4.7011 -4.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8997 4.6558 -3.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0293 5.8220 -2.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8274 5.7250 -2.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1659 4.4699 -2.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2419 4.4561 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7108 4.5631 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5832 5.7611 0.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4187 5.6973 1.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2715 4.4992 2.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2555 4.3900 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0671 3.1228 1.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8169 -1.7090 -5.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3517 -1.8355 -6.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6271 -1.7048 -6.5771 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6075 -2.1039 -7.7414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3966 -3.5113 -8.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5259 -4.4366 -7.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -4.7442 -5.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -5.8726 -5.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3216 -6.2732 -4.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8345 -5.2747 -3.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7424 -5.9034 -1.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2925 -5.1246 -0.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -3.7790 -0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2608 -3.0982 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -2.9091 0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2003 -2.1996 1.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6988 -2.0040 1.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8287 7.8527 3.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5208 6.9144 2.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5095 7.1194 4.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8963 5.8963 3.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1849 5.5002 4.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2372 4.7202 2.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 2.6709 3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8559 3.1009 5.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2476 4.1296 5.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 2.0969 5.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 0.1862 6.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 1.7433 6.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4795 0.0016 6.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5197 1.6574 8.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8571 -0.3231 9.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3426 -1.3577 7.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8315 -1.7512 8.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3003 -2.9205 9.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1368 -4.1509 7.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2672 -2.3322 5.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9418 -2.6767 5.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -4.8846 5.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -5.8698 3.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7711 -4.1541 2.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3393 -3.1393 3.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0672 -5.1031 4.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9901 -5.6777 2.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2737 -4.8218 0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4924 -5.9557 0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3123 -3.0121 0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0726 -4.4078 -0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 -3.6270 -3.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5191 -2.9060 -2.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6011 -1.2059 -4.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2365 -0.3190 -2.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7148 0.5264 -3.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6827 -2.6368 -3.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2212 -1.4343 -5.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 -1.6741 -3.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3277 -0.9805 -2.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4164 1.0979 -3.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0634 0.6208 -2.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5439 -0.1639 -5.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8453 1.4864 -6.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9253 2.5024 -4.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6185 2.4693 -6.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3862 4.0451 -6.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7565 5.6560 -4.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8518 4.7573 -2.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4785 3.6802 -2.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 6.8525 -3.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2382 6.6705 -2.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8161 4.4647 -2.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6669 3.5456 -2.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0589 5.2462 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 3.5027 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1096 4.5363 1.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3129 3.6068 0.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9658 6.6692 0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3084 5.9256 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0879 6.5884 1.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7481 5.8538 2.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8647 4.6287 2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7344 3.5385 2.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9263 5.2408 0.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 4.2501 -0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3999 2.2256 1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8351 2.9588 0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5390 3.1487 2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5501 -1.6601 -7.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -1.5297 -8.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0354 -3.4882 -9.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4165 -4.0450 -8.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5831 -4.2261 -7.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -5.4594 -7.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6662 -5.1058 -5.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3223 -3.8717 -5.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3223 -5.5407 -5.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0431 -6.7658 -6.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9652 -7.2063 -4.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7007 -6.5763 -3.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 -5.0156 -3.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2151 -4.3745 -3.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -6.1438 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2645 -6.9063 -1.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0442 -5.7202 0.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4098 -5.0861 -0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8688 -3.0985 -1.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4086 -3.8664 -0.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9801 -3.6280 1.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7578 -2.0964 0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3334 -3.8225 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 -2.2138 -0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9748 -2.8033 2.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7387 -1.1959 1.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2395 -2.9736 1.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9894 -1.4300 2.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0387 -1.4305 0.9834 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 2 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 2 0 35 36 1 0 36 37 1 0 37 38 2 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 26 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 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 6 27101 1 0 27102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 35110 1 0 36111 1 0 36112 1 0 37113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 49135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 59148 1 0 59149 1 0 60150 1 0 60151 1 0 61152 1 0 61153 1 0 62154 1 0 62155 1 0 63156 1 0 63157 1 0 64158 1 0 64159 1 0 65160 1 0 65161 1 0 66162 1 0 66163 1 0 66164 1 0 M END