HMDB0273926 RDKit 3D PGP(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) 146145 0 0 0 0 0 0 0 0999 V2000 -15.2897 5.7888 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1677 4.7609 -1.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4212 4.0145 -2.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5692 2.7274 -2.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5108 1.7988 -1.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4309 0.7976 -1.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4218 0.6469 -0.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2369 1.4994 0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2207 0.6658 1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2111 0.6273 2.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9747 1.4054 2.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7757 2.2852 3.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6913 2.1322 4.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5919 1.1755 3.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3228 1.9383 3.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5847 1.9053 2.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9351 1.0926 1.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2069 1.0486 0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9745 1.8279 0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7312 2.0879 -1.1663 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7494 1.1808 0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4365 -0.1483 0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 -0.6682 0.8142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5628 0.0529 1.6659 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6742 -1.8967 0.5184 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5087 -2.4641 1.0670 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4382 -2.6780 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 -1.4247 -0.7173 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5387 -0.5187 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 -0.8077 1.1497 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9109 0.7915 -0.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2423 1.2544 -0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4153 0.4631 -0.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4947 -0.9747 -0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8476 -1.4505 -0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7299 -1.1297 -2.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5494 -0.3407 -2.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6961 0.3044 -2.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9746 -0.0560 -2.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8183 0.7324 -3.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7792 2.1521 -3.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6842 2.9987 -3.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7512 3.9432 -2.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9405 4.3178 -1.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6114 4.1155 -0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2935 3.2746 0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4165 2.4291 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6667 2.7577 1.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9981 4.2084 0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2400 4.5383 1.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9428 4.2836 3.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2341 -3.7228 1.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3487 -4.7074 1.0447 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6495 -6.1053 1.9578 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5750 -6.4126 2.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9591 -5.8308 2.9995 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0207 -7.3636 0.9254 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5798 -7.0453 -0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9387 -8.2239 -1.2427 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3012 -9.3867 -0.7852 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4309 -8.4599 -1.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8253 -9.5513 -1.8606 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4669 -9.8568 -1.7261 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.6677 -11.3411 -2.0096 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0508 -9.5293 -0.1609 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3595 -8.9501 -2.8474 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.1129 5.3331 -0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6090 6.1509 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8637 6.6096 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1368 4.1448 -0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2356 5.3531 -1.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4819 4.6400 -3.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7577 2.2751 -3.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4839 1.1692 -1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5655 2.2445 -0.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4922 0.1291 -2.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6689 -0.1147 -1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0097 2.2645 0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2823 2.0330 0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1203 0.0541 1.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3308 -0.0423 3.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0306 2.1057 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1101 0.7623 1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5355 3.0167 3.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5821 2.7874 4.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4157 0.6829 4.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7145 0.4315 3.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9679 2.5881 4.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6604 2.5069 2.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8178 0.4855 1.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 0.4138 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 2.8562 0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6097 2.0058 -1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8964 1.8598 0.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8582 1.0895 1.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2544 -0.0354 -0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 -0.8877 0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9797 -1.7315 1.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9978 -3.2996 -0.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3589 -3.1370 0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9284 0.8014 -1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0927 1.4992 -0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2003 1.4400 1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3818 2.2916 -0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4510 0.5587 -1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 0.9427 -0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7367 -1.5513 -0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5371 -1.2410 0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6258 -1.0907 -0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8047 -2.5784 -0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8717 -1.6109 -2.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3849 -0.1439 -3.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5572 1.3700 -2.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7367 -0.0257 -1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2008 -1.1697 -2.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7400 0.2090 -3.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0074 2.3549 -4.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7361 2.6400 -3.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7141 2.8360 -3.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8157 4.5138 -2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8777 3.8671 -1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0088 5.4609 -1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7956 4.6725 0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9902 3.1783 1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7226 2.4672 -0.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1328 1.3622 0.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4766 2.1325 0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4318 2.5457 2.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 4.8695 1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1162 4.3925 -0.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0257 3.8576 1.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5665 5.5852 1.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1341 3.2214 3.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5799 4.9154 3.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8729 4.4605 3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4253 -3.5407 2.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2057 -4.0708 2.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7529 -6.1833 3.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5404 -6.9610 -0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0714 -6.1382 -0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6401 -7.9800 -2.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6613 -9.3157 -0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 -7.5482 -1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5917 -8.7489 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6888 -10.2539 0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4718 -8.0180 -2.4737 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 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 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 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 26 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 62 63 1 0 63 64 2 0 63 65 1 0 63 66 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 18 91 1 0 19 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 22 96 1 0 22 97 1 0 26 98 1 1 27 99 1 0 27100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 51135 1 0 52136 1 0 52137 1 0 56138 1 0 58139 1 0 58140 1 0 59141 1 6 60142 1 0 61143 1 0 61144 1 0 65145 1 0 66146 1 0 M END