HMDB0009841 RDKit 3D PI(18:1(9Z)/20:1(11Z)) 148148 0 0 0 0 0 0 0 0999 V2000 -5.3519 5.8554 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0877 5.5317 -0.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0244 4.0050 -0.6972 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2048 3.4789 -1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5420 3.9298 -2.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6558 3.7074 -3.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2986 4.3241 -3.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7113 3.8408 -5.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3774 4.3814 -5.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3086 3.5964 -5.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3246 2.1316 -5.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5719 1.6783 -4.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1232 2.3180 -3.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9694 1.8172 -1.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 2.5377 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 1.9684 0.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 2.7051 1.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6112 2.1826 2.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1683 0.8873 3.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2161 -0.3183 2.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1328 -0.6753 2.1215 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3043 -1.1198 2.5743 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2855 -2.3049 1.7772 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2563 -3.5633 2.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2434 -4.6797 1.8103 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -4.9972 0.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3027 -4.2196 0.7709 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4721 -6.2225 0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4474 -6.6795 -0.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8699 -7.1382 -0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7878 -6.2141 0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1132 -6.8686 0.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 -6.1166 1.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0579 -5.5514 2.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0759 -4.5210 2.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 -3.2996 3.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8019 -2.8747 3.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0484 -1.7106 2.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1334 -0.5564 2.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 0.0465 4.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3068 1.1972 4.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3287 1.9549 5.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0142 1.2187 6.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9456 0.1215 7.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4027 -2.4232 0.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4626 -1.3884 -0.1083 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7310 -1.5337 -1.1773 P 0 0 0 0 0 5 0 0 0 0 0 0 4.5949 -2.6965 -2.1309 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1364 -1.8516 -0.2501 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9088 -0.0739 -2.0155 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1519 0.4796 -1.8630 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8354 0.6245 -3.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0059 1.3107 -4.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1936 1.2311 -3.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7768 1.4469 -4.2533 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1491 2.5383 -2.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7511 3.6038 -3.0589 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3528 2.4970 -1.0041 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1083 3.8347 -0.6252 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 1.8824 -1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1618 1.8313 -0.2262 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2315 5.7012 -0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3596 5.0934 1.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2431 6.8829 0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1627 5.9804 -1.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1891 5.9203 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0293 3.7421 -1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1081 3.5780 0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2158 2.3350 -1.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1033 3.7089 -0.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5412 3.4139 -3.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8822 5.0115 -2.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4687 2.5894 -4.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1593 4.0339 -4.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6143 3.9891 -3.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3819 5.4423 -3.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8236 2.7563 -5.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4217 4.2759 -6.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 5.4605 -5.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6374 4.0863 -5.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2863 1.6349 -5.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1869 1.7784 -6.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 0.5734 -4.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6253 1.9774 -4.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2897 3.4248 -3.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9263 2.1264 -2.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8301 0.7278 -1.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0494 2.0005 -2.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6785 3.6224 -0.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5149 2.3268 -0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4154 2.2032 0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 0.8931 0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3133 3.7799 1.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1109 2.7858 1.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7381 2.1630 2.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5011 2.9955 3.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 1.0780 3.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7464 0.7307 4.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2819 -2.3015 1.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1782 -3.6390 3.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -3.5744 3.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7189 -7.0627 0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 -6.1132 -0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3782 -5.8790 -1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9217 -7.5482 -1.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4359 -7.4938 -1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7372 -8.1119 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 -6.1580 1.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9268 -5.2926 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4491 -7.2596 -0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 -7.8429 1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0869 -6.8510 1.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6016 -5.3182 0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0494 -5.4000 3.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6706 -6.4635 3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9874 -4.7310 2.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5897 -2.5929 3.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9122 -2.4410 4.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5958 -3.5893 3.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0882 -1.3570 2.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9307 -2.1286 1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0827 -0.7224 2.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4907 0.2587 1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2775 0.3557 4.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8826 -0.7636 4.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4785 1.9460 3.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2807 0.7743 3.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3454 2.4445 5.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 2.8195 5.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9854 1.9639 7.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9643 0.7885 6.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1473 0.2019 8.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5103 -0.9026 6.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9163 0.1441 6.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3688 -3.4192 0.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3747 -2.3871 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8682 -2.0771 -0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8236 -0.0759 -1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9946 -0.3943 -3.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2119 2.2521 -4.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8176 0.5101 -2.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1583 2.0214 -4.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2187 2.7499 -1.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9496 4.0031 -2.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8036 1.9270 -0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2003 3.9370 0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5138 2.4786 -2.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6142 2.3032 0.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 2 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 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 58 60 1 0 60 61 1 0 60 51 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 6 24100 1 0 24101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 44134 1 0 45135 1 0 45136 1 0 49137 1 0 51138 1 1 52139 1 0 53140 1 0 54141 1 0 55142 1 0 56143 1 0 57144 1 0 58145 1 1 59146 1 0 60147 1 0 61148 1 0 M END