HMDB0271587 RDKit 3D PG(20:4(5Z,8Z,10E,14Z)-OH(12S)/i-17:0) 132131 0 0 0 0 0 0 0 0999 V2000 0.2482 6.8706 -1.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2684 6.7530 -1.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5655 7.3348 0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0315 7.2739 0.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5336 5.8644 0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9663 5.7655 0.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8296 5.2399 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5017 4.6896 -1.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8400 3.2125 -1.3999 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1957 3.0292 -1.2021 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3879 2.7640 -2.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5014 1.7490 -2.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1195 1.3850 -4.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2662 0.4242 -4.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6152 -0.3760 -3.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1393 -0.1410 -3.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3277 -1.1169 -3.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6887 -2.4919 -3.9805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 -3.5391 -3.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2926 -3.6273 -2.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -2.4706 -2.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0467 -1.7487 -1.4974 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1878 -2.0563 -2.1765 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5136 -0.9163 -1.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9197 -0.4386 -1.4923 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8367 -1.4471 -0.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4328 -1.8112 0.4172 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5368 -2.9354 1.0214 P 0 0 0 0 0 5 0 0 0 0 0 0 7.8574 -2.2511 1.3691 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8665 -4.1702 -0.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -3.6472 2.4526 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6712 -2.6565 3.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1621 -3.2422 4.6650 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0629 -4.0998 5.2729 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8688 -2.1026 5.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0732 -1.4596 5.8877 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 0.7245 -0.6399 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2774 1.9721 -1.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6107 2.0647 -2.3156 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2451 3.1758 -0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8326 3.7419 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8181 2.7109 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.2335 1.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0438 1.1633 2.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5965 1.5139 1.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 0.3061 2.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6518 0.4755 2.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3396 -0.7404 2.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0288 -1.9696 2.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7441 -3.1855 2.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4915 -4.4464 1.9528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9166 -4.4287 0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5615 -5.8135 -0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9299 -5.9605 -1.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3541 -6.8842 0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4348 6.6949 -2.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6012 7.8584 -0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 6.1234 -0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 5.7093 -1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7343 7.3887 -1.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9973 6.7088 1.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1779 8.3860 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6117 7.8103 -0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 7.7172 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0092 5.3899 1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1828 5.2509 -0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3007 6.1522 1.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8866 5.2136 0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1917 5.2479 -1.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4998 4.9401 -1.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2306 2.6976 -0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4468 2.9860 -0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7618 3.2443 -3.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1709 1.3098 -1.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5569 1.9306 -5.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0413 0.2280 -5.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 -1.4198 -3.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8727 0.1123 -2.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7534 0.8967 -3.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7494 -0.8166 -3.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2428 -2.8151 -5.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7696 -2.7137 -4.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7357 -3.4346 -2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 -4.5203 -3.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4958 -4.5661 -2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7864 -3.7491 -3.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9051 -0.0793 -1.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2211 -1.0032 -0.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2559 -0.1604 -2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9624 -2.3529 -1.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8879 -1.0499 -0.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4559 -5.0356 0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9106 -1.9988 2.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5877 -2.0554 3.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2263 -3.8055 4.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5501 -4.8798 5.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 -2.4958 6.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2378 -1.3699 5.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8484 -0.5843 6.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6193 2.9559 0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8978 3.9279 -0.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6256 3.9780 -1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7478 4.6497 0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8231 3.2358 0.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7548 1.8610 -0.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0175 1.8519 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8623 3.0845 2.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 0.9644 3.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2416 0.2025 1.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 2.3605 2.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2389 1.7883 0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1389 0.0901 3.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0988 -0.5275 1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0566 0.6893 1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9955 1.3376 3.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1098 -0.9061 4.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4592 -0.6043 2.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9427 -2.2197 2.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4323 -1.7946 1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -3.2471 3.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8634 -3.0258 2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4437 -4.7924 2.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1292 -5.2370 2.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4991 -3.6231 -0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0308 -4.3793 0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -6.0585 0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3623 -6.9564 -1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0063 -5.8919 -2.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6016 -5.1477 -1.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4103 -7.8112 0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3694 -6.4772 0.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8704 -7.1499 1.6521 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 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 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 33 35 1 0 35 36 1 0 25 37 1 0 37 38 1 0 38 39 2 0 38 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 53 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 1 10 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 0 24 88 1 0 25 89 1 6 26 90 1 0 26 91 1 0 30 92 1 0 32 93 1 0 32 94 1 0 33 95 1 6 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 54127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 55132 1 0 M END