HMDB0285113 RDKit 3D PE(20:4(6E,8Z,11Z,14Z)+=O(5)/DiMe(9,5)) 131131 0 0 0 0 0 0 0 0999 V2000 -17.8551 -0.8357 -2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8909 -0.6238 -1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4899 -0.4102 -0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8519 0.7941 -1.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4592 0.9886 -0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6593 -0.2208 -0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1367 -0.9527 0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2989 -0.6416 1.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2051 -0.2969 2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9570 -0.1519 2.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2921 -0.2991 0.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6038 1.0156 0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3069 1.0439 0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4983 -0.1453 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1638 -0.0913 0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3488 -1.2670 0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9089 -2.3630 0.7241 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8906 -1.2353 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1194 -0.8076 1.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3607 0.5915 1.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9377 1.5511 0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 2.4883 0.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7235 1.4046 0.2631 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1795 2.2218 -0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1866 1.7823 -1.1627 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2165 0.3641 -1.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1362 -0.5647 -0.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0653 -2.1206 -1.4190 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4601 -2.5369 -1.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8797 -2.0239 -2.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6668 -3.2185 -0.3682 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3123 -2.9270 0.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -3.9041 1.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4027 -3.8783 1.8390 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 1.8029 -0.0822 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2947 2.4836 -0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6165 3.1192 -1.1623 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2525 2.4944 1.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1232 1.2411 0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8816 1.2265 -0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 0.0142 -0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7967 -0.1195 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7191 1.0649 0.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7702 0.9692 1.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8126 -0.0644 1.6143 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7206 0.0852 0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8916 0.6967 0.4597 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4802 0.7010 -0.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8056 1.2668 -1.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7920 0.1805 -1.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1233 -0.5610 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8324 0.1807 0.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2080 1.3727 1.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6283 0.0314 -1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8649 -0.2226 -2.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4905 -0.3638 -0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3723 -1.1383 -1.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8085 -1.0385 -2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2368 0.0873 -3.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4717 -1.6899 -2.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2783 -1.5964 -0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5881 0.1853 -0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9031 -1.2915 -0.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5149 -0.2820 0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7609 0.6582 -2.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4453 1.7154 -1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4714 1.3746 0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9558 1.8166 -1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5073 -0.5009 -1.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5935 -1.8741 -0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7855 -1.6082 1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1768 0.0621 1.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4538 -0.1235 3.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2771 0.1201 2.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5940 -1.1438 0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9341 -0.5008 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2222 1.8948 0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8453 2.0078 0.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8677 -1.0987 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7475 0.8613 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5078 -2.2705 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6479 -0.6054 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2941 -1.5138 2.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0375 -0.8929 1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7894 0.7721 2.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 0.7581 2.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8597 2.1049 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1259 3.2552 -0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6032 2.4299 -1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4249 0.2698 -2.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2522 0.1576 -2.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5374 -2.6036 -3.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7888 -3.0083 1.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7076 -1.9157 1.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6228 -4.9216 1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6418 -3.7075 2.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7519 -3.9591 0.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8364 -3.0700 2.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7025 2.5513 1.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 3.4208 0.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4103 0.3902 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7438 1.2066 1.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4065 2.1819 -0.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 1.1390 -1.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2353 0.0769 -1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1061 -0.8781 -0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2597 -0.2506 1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3583 -1.0462 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0970 1.9817 0.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0768 1.3020 -0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3161 0.9162 2.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2892 1.9850 1.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4740 -0.0630 2.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4228 -1.1073 1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0982 2.1366 -0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5847 1.6754 -2.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5084 -0.5376 -2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7870 0.5910 -1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6288 -1.5413 -0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1197 -0.8689 0.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9118 0.4087 0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0051 -0.5538 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5361 1.4730 2.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1242 1.4106 1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6852 2.2893 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8693 -0.3990 -3.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2946 0.6578 -3.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4434 -1.1549 -3.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5054 -0.5563 -1.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1649 -1.9853 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7698 -1.6736 -2.3473 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 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 25 35 1 0 35 36 1 0 36 37 2 0 36 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 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 48 54 2 0 54 55 1 0 54 56 1 0 56 57 1 0 56 46 2 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 0 24 88 1 0 25 89 1 6 26 90 1 0 26 91 1 0 30 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 49115 1 0 49116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 53124 1 0 53125 1 0 55126 1 0 55127 1 0 55128 1 0 57129 1 0 57130 1 0 57131 1 0 M END