HMDB0276418 RDKit 3D PI(18:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) 147147 0 0 0 0 0 0 0 0999 V2000 -0.7939 -4.8214 3.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1716 -6.3030 3.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1422 -7.0216 4.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5704 -8.0258 4.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4374 -8.6095 2.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7177 -8.5275 1.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8129 -7.8681 0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -7.1481 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4525 -7.7148 -1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5127 -7.0391 -2.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8342 -5.5902 -2.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0676 -5.3060 -3.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0748 -4.4779 -4.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9064 -3.7618 -4.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0099 -2.9270 -5.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 -2.7107 -6.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -2.2054 -5.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1784 -1.5704 -7.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4876 -1.3760 -7.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2397 -0.3037 -7.9592 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8270 0.9046 -7.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8298 1.2282 -6.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4479 2.4363 -5.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 3.4957 -5.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3264 2.4851 -4.5384 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0079 3.6636 -3.8170 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8809 3.3725 -2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 4.5345 -1.5931 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3852 4.4224 -0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4229 3.2807 0.2843 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1188 5.6261 0.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7767 5.2762 2.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7909 4.5247 2.7918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2475 4.2960 4.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2174 3.4897 5.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6581 3.3249 6.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 2.6609 6.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2673 1.2618 5.9629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 0.8286 6.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3885 -0.5544 5.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7038 -1.1853 5.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9009 -0.6822 5.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4049 0.6763 5.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7164 0.8824 4.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5158 0.7493 3.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8619 1.0011 2.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3284 2.3987 2.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7358 4.2994 -4.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 3.4317 -4.2668 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 4.1153 -4.8559 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6074 5.5339 -5.3056 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3392 3.2372 -6.2073 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9293 3.9454 -3.6471 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0601 3.2970 -4.0604 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1774 2.0115 -3.2664 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9520 1.3526 -3.2421 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2984 1.1305 -3.7685 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4411 0.0889 -2.8457 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5787 1.8956 -3.7805 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5156 1.1702 -4.5298 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4633 3.2637 -4.4094 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6416 3.9694 -4.1873 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3378 4.0723 -3.8038 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4741 4.2484 -2.4472 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2369 -4.8012 3.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4552 -4.2817 2.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7964 -4.3499 4.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1147 -6.3465 4.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4112 -6.7419 2.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0209 -6.6515 5.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2986 -8.4538 4.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -9.7438 2.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4478 -8.3387 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6152 -9.0502 2.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -7.8288 0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2535 -7.2072 0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0031 -6.0827 0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2136 -8.7792 -1.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3221 -7.5499 -3.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0675 -5.1179 -2.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8955 -5.1189 -1.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0118 -5.7955 -2.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0362 -4.3391 -4.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0419 -3.8852 -4.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0847 -2.4263 -5.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6521 -3.6424 -6.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1072 -2.1627 -5.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -0.7074 -6.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5063 -2.0193 -8.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 -2.2248 -8.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2069 -0.2796 -8.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8257 1.8118 -7.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8297 0.7972 -6.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8696 0.3836 -5.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8615 1.3077 -6.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 4.3978 -3.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0495 2.6555 -2.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8043 2.9317 -1.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2763 6.1781 0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0157 6.2911 0.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8277 4.6746 1.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5803 6.2427 2.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7545 5.1069 2.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0682 3.5379 2.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0278 5.2422 4.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 3.7426 4.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4230 2.4975 4.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1648 4.0702 5.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4021 2.8073 7.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 4.3482 6.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0191 2.6694 7.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5793 3.2842 5.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8944 0.5950 6.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 1.1811 4.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7867 1.6286 5.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3386 0.8266 7.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0606 -0.6690 4.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3334 -1.1953 6.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9249 -1.3421 6.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5992 -2.2833 5.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -0.8981 3.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7523 -1.3910 5.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6467 0.7996 6.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7721 1.5074 4.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4627 0.1548 4.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0307 1.9310 4.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1472 -0.2083 2.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8168 1.5352 2.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7709 0.9647 1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6298 0.2979 2.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9959 2.8179 1.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9105 2.3654 3.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4072 3.0301 2.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5225 5.1569 -3.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 4.6571 -5.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0189 2.3087 -6.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0218 2.9846 -5.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4117 2.3016 -2.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 0.3888 -3.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9944 0.7428 -4.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3801 -0.2523 -2.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9593 2.0107 -2.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0074 0.6304 -5.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2990 3.2172 -5.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1999 3.9541 -4.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3582 5.0613 -4.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6191 4.3128 -1.9546 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 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 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 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 63 54 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 13 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 22 94 1 0 22 95 1 0 26 96 1 1 27 97 1 0 27 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 52136 1 0 54137 1 6 55138 1 1 56139 1 0 57140 1 6 58141 1 0 59142 1 1 60143 1 0 61144 1 6 62145 1 0 63146 1 6 64147 1 0 M END