HMDB0284905 RDKit 3D PE(20:4(6E,8Z,11Z,14Z)+=O(5)/DiMe(13,5)) 143143 0 0 0 0 0 0 0 0999 V2000 -8.0092 2.8600 -1.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1017 2.3889 -2.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0137 2.8055 -3.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6576 2.3419 -3.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7571 2.3529 -2.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0368 1.3649 -1.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1547 0.4163 -0.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8231 0.2199 -1.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 -1.1556 -2.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -1.6621 -3.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2609 -0.9899 -4.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3046 0.4434 -4.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2859 1.2285 -4.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0178 0.7197 -5.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9914 1.5595 -5.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3454 1.1762 -5.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 2.0676 -6.1277 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8422 -0.2361 -5.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6317 -0.5114 -4.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 -1.9149 -4.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8465 -2.2717 -3.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1267 -3.4978 -3.1779 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2339 -1.3846 -2.3375 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9226 -1.8138 -1.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9882 -2.6665 -0.3906 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7595 -1.8177 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2530 -1.2685 -1.2016 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8772 -0.3708 -0.7030 P 0 0 0 0 0 5 0 0 0 0 0 0 2.3938 0.6302 0.3058 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1295 0.4262 -1.9612 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8757 -1.4448 0.0927 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4564 -2.4935 -0.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4693 -3.4273 0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -4.5217 -0.7915 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 -3.2450 0.8098 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3794 -4.5964 0.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8635 -5.2542 -0.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7781 -5.4054 2.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6257 -5.2693 3.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3435 -5.6174 2.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0963 -5.5501 3.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8919 -4.2038 4.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5093 -4.1264 4.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3419 -2.8786 5.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1077 -2.6975 5.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4214 -1.6334 6.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9388 -0.2779 6.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1494 0.5186 5.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5492 1.8892 5.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4729 2.8906 4.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2561 3.8658 4.4544 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8324 4.5971 3.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5466 5.7516 2.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 5.6685 1.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0603 5.2339 0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6946 3.8315 0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2751 3.7168 -1.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3544 4.0353 3.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2475 4.5298 1.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5865 2.9634 3.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7554 2.0621 3.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8229 3.6241 -0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0780 3.3747 -0.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2584 2.0189 -0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1698 1.2499 -2.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0876 2.7674 -3.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3832 2.6813 -4.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9631 3.9871 -3.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1061 2.9282 -4.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6489 1.2654 -3.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6717 2.3720 -2.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8665 3.3695 -1.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9692 1.3420 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5026 -0.2679 -0.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0448 0.2857 -0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4741 1.0005 -2.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9177 -1.9309 -1.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -2.8109 -3.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3212 -1.4169 -4.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0509 -1.4129 -5.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2668 0.9670 -4.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4566 2.2988 -4.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2459 -0.3137 -5.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7507 2.6292 -5.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9919 -0.9323 -5.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5564 -0.3066 -6.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 -0.2907 -3.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5252 0.1743 -4.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3008 -2.6586 -4.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8263 -2.0704 -5.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8425 -2.3668 -1.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1670 -0.8676 -0.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5967 -3.4747 -1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1571 -0.9585 0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0117 -2.3870 0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 1.1784 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3729 -3.0216 -1.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0911 -2.1163 -1.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0596 -3.8024 0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3491 -2.8270 0.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 -5.2543 -0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7317 -5.0023 -0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8558 -6.4587 1.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6789 -5.0502 2.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8565 -6.0318 3.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6528 -4.2852 3.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4427 -6.6738 2.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2675 -4.9848 1.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1758 -5.7123 2.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0606 -6.3307 4.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0377 -3.3812 3.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6135 -4.1433 4.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2844 -4.1895 3.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3638 -5.0488 5.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 -3.0191 6.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7347 -1.9866 4.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3971 -3.6808 6.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7477 -2.6980 4.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0193 -2.0089 7.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5524 -1.6381 7.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4544 0.3488 7.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -0.1420 6.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5525 0.1735 4.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2127 0.6299 5.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1049 2.2534 6.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4755 1.6085 6.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7501 6.5740 2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1156 6.1866 3.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3624 5.0452 2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9595 6.6936 1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9314 5.4906 -0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2479 5.9259 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 3.1500 0.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9273 3.3363 0.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0972 4.0202 -1.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4068 4.4092 -1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0034 2.6684 -1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6633 3.7051 1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6672 5.2141 1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 5.1504 2.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9136 1.8371 2.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6289 1.1653 4.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6477 2.6133 4.1222 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 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 52 58 2 0 58 59 1 0 58 60 1 0 60 61 1 0 60 50 2 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 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 15 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 24 91 1 0 24 92 1 0 25 93 1 6 26 94 1 0 26 95 1 0 30 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 57137 1 0 59138 1 0 59139 1 0 59140 1 0 61141 1 0 61142 1 0 61143 1 0 M END