HMDB0277646 RDKit 3D PI(18:1(9Z)-O(12,13)/20:4(8Z,11Z,14Z,17Z)) 141142 0 0 0 0 0 0 0 0999 V2000 -2.1402 -4.8889 -3.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1492 -4.9902 -2.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -4.7667 -0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7326 -5.6701 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3311 -6.9671 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5455 -8.1115 0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1134 -9.1153 -0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3529 -9.1997 -1.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2356 -9.4562 -2.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0256 -9.6875 -2.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7874 -9.7560 -1.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0966 -9.0918 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5621 -8.1274 -0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8621 -7.3987 0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0181 -5.9162 0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5373 -5.6911 -1.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8181 -4.2710 -1.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0921 -3.2740 -0.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4066 -1.8535 -1.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1553 -1.4678 -2.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7179 -2.2066 -3.4856 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4323 -0.1587 -2.9116 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 0.4445 -4.1542 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5852 1.0693 -4.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0218 2.0486 -3.7745 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 1.8678 -2.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5332 0.6924 -2.0315 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8888 3.0263 -1.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1248 2.4472 -0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5164 3.3858 0.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5189 4.4689 1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8603 5.3971 2.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9128 4.5871 3.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1883 5.3269 4.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 6.3667 5.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4395 6.3393 6.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4464 5.2672 7.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0535 4.6635 7.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9619 3.5696 8.0367 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 3.3196 6.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6784 3.0199 6.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8486 1.5956 5.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2947 1.2736 5.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2947 -0.2119 5.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 -0.6919 4.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2546 1.5488 -4.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 0.9977 -3.8893 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2146 2.1340 -3.9376 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.4612 1.5470 -4.6109 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7831 3.4894 -4.8607 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6701 2.5579 -2.3833 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8946 3.5730 -1.8272 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7496 4.7994 -1.5775 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3955 5.1743 -2.7744 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8603 5.9489 -1.1609 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5643 6.9324 -0.5007 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6763 5.4916 -0.3221 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3751 5.1133 -1.1571 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0884 4.2333 0.4473 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2621 4.4689 1.1592 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2953 3.1011 -0.5424 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1032 2.1054 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1228 -5.0140 -2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1755 -3.8719 -3.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3586 -5.6823 -3.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9561 -4.1875 -2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6658 -5.9674 -2.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1711 -3.7904 -0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2978 -5.3659 1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2069 -6.9121 0.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9545 -7.1798 -0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2683 -8.1460 1.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6145 -9.9442 0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1315 -10.0146 -1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 -8.2867 -1.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 -9.4470 -3.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6077 -9.8674 -3.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1955 -9.2635 -0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9181 -10.8228 -0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7561 -9.5431 -1.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6005 -7.7740 -0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4638 -7.4841 1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8425 -7.6648 0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5584 -5.2667 0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1156 -5.7314 0.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 -6.4022 -1.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -5.8704 -1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9199 -4.0557 -1.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5029 -4.2221 -2.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0086 -3.4443 -0.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -3.4064 0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7943 -1.2094 -0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4551 -1.6671 -0.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9773 -0.3488 -4.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 0.2887 -4.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4285 1.4784 -5.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0732 3.7540 -1.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8158 3.4118 -2.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2815 1.7723 0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9972 1.7327 -0.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5246 3.7998 0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5642 2.7630 1.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4508 5.0518 0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 4.0920 1.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8397 5.8913 2.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0829 6.1869 2.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8089 3.8950 3.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 3.9626 3.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 4.5788 5.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1897 5.8479 4.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1286 7.2075 4.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 7.1562 6.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5223 5.7820 8.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2377 4.5388 7.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2291 5.4068 7.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4753 2.6785 6.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0121 3.7172 5.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3789 3.2398 7.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2004 1.3076 5.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6216 0.9504 6.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6314 1.8655 4.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9643 1.3664 6.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8809 -0.7531 6.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5535 -0.2802 4.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6895 -1.8061 4.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7569 -0.5669 3.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4619 -0.1617 5.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 2.3332 -3.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2497 2.0138 -5.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8211 3.7096 -4.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0711 3.8816 -2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5124 4.6170 -0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8788 5.8710 -3.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4361 6.3938 -2.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5819 7.7582 -1.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3795 6.2799 0.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1694 5.0374 -0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 4.0196 1.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0602 4.5315 2.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 2.6101 -0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8872 1.9226 -0.5879 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 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 44 45 1 0 23 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 40 38 1 0 61 52 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 6 24 95 1 0 24 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 50130 1 0 52131 1 6 53132 1 1 54133 1 0 55134 1 6 56135 1 0 57136 1 1 58137 1 0 59138 1 1 60139 1 0 61140 1 6 62141 1 0 M END