HMDB0276731 RDKit 3D PI(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) 143143 0 0 0 0 0 0 0 0999 V2000 -8.4270 -5.1203 -6.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6452 -5.6821 -7.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5037 -4.6185 -8.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3948 -4.1107 -8.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0672 -4.5614 -8.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2536 -5.1102 -9.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1082 -4.6042 -9.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4898 -3.4579 -9.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1169 -3.7797 -8.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2911 -4.2448 -9.7245 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5947 -2.4834 -8.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2492 -2.3850 -7.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7234 -1.0976 -6.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5252 -0.9368 -5.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0413 -2.0778 -4.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6102 -1.8194 -3.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4315 -1.6429 -2.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8959 -1.6989 -2.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5286 -2.7584 -2.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5136 -2.5182 -1.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1405 -1.2398 -0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1153 -0.7756 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7733 -0.6332 1.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7618 -1.1157 0.5203 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5247 0.0184 2.2941 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1935 0.1214 2.8343 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8838 1.6169 2.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9483 2.1714 1.5522 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1019 1.7747 0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2466 0.8906 0.8745 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0898 2.2647 -0.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0997 3.3272 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3127 4.5858 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2065 5.5524 -0.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3838 6.8793 -0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6876 7.8648 -0.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5868 9.1693 0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 9.5774 1.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1945 8.9428 2.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6409 7.5704 2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0706 7.5294 3.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2878 6.9311 4.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2733 6.2753 5.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6421 4.8027 5.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6051 4.1251 6.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 2.6552 6.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9517 1.9356 5.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1804 -0.3463 4.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9408 -0.2924 4.8617 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9784 -0.7987 6.4552 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2172 0.1662 7.3544 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6093 -0.7150 6.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4386 -2.3471 6.7208 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7611 -2.9211 5.6477 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3695 -4.2496 5.2662 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7643 -4.1926 5.2265 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -4.6686 3.9420 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2063 -5.9654 3.6055 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6916 -4.5209 3.9248 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1263 -3.4744 3.1235 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2734 -4.3410 5.3029 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2537 -5.5440 6.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6826 -3.2061 6.0653 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6059 -3.5735 7.4225 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3087 -4.5610 -6.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7834 -4.4379 -5.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7940 -5.9461 -5.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2847 -6.4993 -7.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7145 -6.0640 -7.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4493 -4.1836 -8.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4657 -3.3135 -9.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1967 -5.3146 -7.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5469 -3.7080 -8.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 -5.9940 -10.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -5.1302 -10.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0656 -2.8915 -8.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1767 -2.7673 -10.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2067 -4.5516 -7.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5894 -4.4437 -9.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 -1.5769 -8.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4844 -3.3435 -6.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4097 -0.1633 -7.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 0.0861 -5.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4943 -3.0317 -5.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0756 -2.3058 -5.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5204 -1.7827 -3.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0565 -1.4509 -1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1978 -1.6802 -3.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3268 -0.6931 -2.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1742 -3.7985 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9221 -3.3921 -0.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2691 -1.4202 -1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9258 -0.3899 -1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 0.1689 0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6609 -1.5054 1.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4529 -0.4362 2.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6724 2.0939 3.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9248 1.7662 3.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 2.6048 -1.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8101 1.3807 -1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0536 2.9580 -1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2252 3.6091 -2.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2941 4.3834 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2807 5.0153 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 5.0895 -0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2742 5.6689 -1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5222 6.7498 1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3919 7.2586 -0.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4392 8.0399 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6981 7.4077 -0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 9.5653 -0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1488 9.9557 -0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4806 10.7028 1.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2338 9.5179 3.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 6.9047 3.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7061 7.0334 1.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8321 8.0088 2.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3546 6.9338 4.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2398 6.4636 4.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 6.6892 6.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6607 4.3237 4.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6462 4.7570 5.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6471 4.6229 7.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6018 4.2651 5.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9345 2.5351 6.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1864 2.2069 6.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8956 2.1133 4.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9309 0.8488 5.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1113 2.2235 4.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6638 -1.3660 4.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8514 0.2911 4.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7057 -0.9151 7.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7618 -2.2192 4.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0242 -5.0116 6.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0309 -4.8687 4.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -4.0060 3.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8252 -6.1496 2.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1269 -5.4654 3.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -2.8225 3.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3653 -4.1149 5.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5824 -6.2402 5.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2795 -2.2679 6.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4657 -3.9959 7.6972 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 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 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 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 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 61 63 1 0 63 64 1 0 63 54 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 22 94 1 0 22 95 1 0 26 96 1 6 27 97 1 0 27 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 52132 1 0 54133 1 6 55134 1 1 56135 1 0 57136 1 6 58137 1 0 59138 1 6 60139 1 0 61140 1 6 62141 1 0 63142 1 1 64143 1 0 M END