HMDB0261690 RDKit 3D PE(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) 128127 0 0 0 0 0 0 0 0999 V2000 14.6019 5.1675 0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3701 4.7685 1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4817 3.3024 1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6094 2.4536 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3139 2.7969 0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1892 2.2283 0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4256 1.2797 0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5880 0.7260 -0.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0641 -0.6287 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4420 -1.5097 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5154 -1.4470 1.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8503 -2.5952 1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4448 -2.9109 1.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3588 -1.9407 1.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9952 -2.6058 1.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8122 -3.0441 0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7653 -2.0271 -0.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5770 -1.1044 -0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7846 -0.0405 0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3785 -1.1843 -1.0298 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -1.0315 -1.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1332 -0.9432 -0.2456 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0647 -2.2873 0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2795 -2.6073 0.9907 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -4.0849 1.8079 P 0 0 0 0 0 5 0 0 0 0 0 0 2.8738 -3.8339 3.1615 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5563 -4.4394 2.1179 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9525 -5.3030 0.9605 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0636 -5.9881 0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8669 -7.1040 -0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3915 -7.8976 0.5847 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1696 -0.7198 -0.7637 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 0.4420 -0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3203 1.1806 0.3969 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2081 0.5823 -1.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8627 1.8891 -0.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1286 2.0659 0.8046 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2201 2.2978 1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5612 2.4729 0.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8514 2.3442 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2555 3.2484 -1.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4912 4.6318 -1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7581 5.2343 -1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8925 4.7025 -1.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1197 3.3280 -1.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3913 3.0224 -2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7526 1.6073 -2.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5731 0.9418 -3.0169 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2448 1.0095 -1.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6971 -0.3442 -1.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9608 -0.7190 -1.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9278 0.2853 -0.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0819 0.2689 -1.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2899 0.0234 -1.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7084 -0.2721 0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6717 0.8439 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9606 4.3267 -0.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2857 6.0177 -0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3858 5.5430 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5068 5.1995 2.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5197 5.1665 0.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4214 2.9490 1.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7899 1.3356 0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3444 2.5520 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1580 3.9175 0.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9868 2.5738 1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5732 0.9178 1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0570 1.4572 -1.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5077 0.6967 -1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1033 -0.9434 -2.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7828 -2.4940 -0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1956 -0.5398 1.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6434 -1.5971 1.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4507 -3.5517 1.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0097 -2.3797 3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3525 -3.0928 0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2299 -3.9269 2.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3732 -1.7000 3.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4255 -1.0010 1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0069 -3.5154 2.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2475 -1.9267 2.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5652 -3.8557 0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 -3.6099 0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -1.3920 -0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6494 -2.5401 -1.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0272 -0.0782 -2.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -1.8999 -2.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -0.1019 0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2493 -2.2917 1.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -3.0861 -0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1385 -3.7203 2.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 -6.4382 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6147 -5.3032 -0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1307 -7.6924 -1.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 -6.6982 -1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9942 -8.6261 0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6062 -8.3298 1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8233 -0.2910 -0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0063 0.7392 -2.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6168 2.2165 -1.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0193 2.6469 -0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2268 1.9853 1.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2221 2.4056 2.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3004 1.8023 1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9195 3.4753 1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7270 1.2801 -0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3488 2.8673 -2.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9698 4.9364 -0.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7822 5.2104 -1.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8689 6.3469 -1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7854 5.3803 -1.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4297 2.5311 -1.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1763 3.7465 -2.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4633 1.5339 -3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1509 0.6404 -2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2436 0.9896 -0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8165 1.7408 -0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0073 -1.1222 -1.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2156 -1.7402 -1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1940 0.1330 0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5617 1.3376 -0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8463 0.4900 -2.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1147 0.0190 -1.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9482 -0.4413 0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3323 -1.2152 0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3673 0.5107 1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1503 1.3046 -0.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0736 1.6873 1.0406 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 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 22 32 1 0 32 33 1 0 33 34 2 0 33 35 1 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 2 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 21 86 1 0 21 87 1 0 22 88 1 1 23 89 1 0 23 90 1 0 27 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 44111 1 0 45112 1 0 46113 1 0 47114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 51119 1 0 52120 1 0 52121 1 0 53122 1 0 54123 1 0 55124 1 0 55125 1 0 56126 1 0 56127 1 0 56128 1 0 M END