HMDB0284762 RDKit 3D PE(DiMe(11,5)/20:4(5Z,8Z,11Z,14Z)-OH(19S)) 139139 0 0 0 0 0 0 0 0999 V2000 -15.1148 -1.1788 4.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3985 -0.7891 3.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9026 -1.0543 3.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1739 -0.6360 2.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6203 -1.4160 1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8574 -0.8175 0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8601 -1.3085 -0.4502 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4242 -0.5096 -1.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2896 -0.6504 -2.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1951 0.2677 -1.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7999 -0.3794 -0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9863 0.3016 0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6924 0.9787 0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9014 2.2024 -0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7947 3.1217 -0.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 2.8027 -1.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6478 2.2954 -2.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3215 2.2556 -3.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2408 1.4570 -2.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 1.7430 -3.4628 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 0.4605 -2.0329 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0834 -0.1964 -1.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -1.4559 -0.8130 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8849 -1.1077 0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1641 -0.2960 1.1339 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2023 0.1612 2.7243 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.5322 -1.0308 3.6112 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4498 1.2375 2.8547 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2585 0.8806 3.2987 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8424 1.4941 2.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2084 2.0028 2.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9169 2.6360 1.4342 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9452 -2.0124 -0.6136 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5783 -2.8293 -1.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1154 -3.2220 -2.5463 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9866 -3.2061 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9466 -2.3993 -1.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3349 -2.3510 -1.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 -1.5375 0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6016 -0.4181 0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6701 0.3009 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6503 0.7687 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8558 0.4941 0.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7958 -0.3863 0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5302 -1.2269 -0.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0890 -1.2783 -2.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1563 -0.4754 -2.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6162 0.7005 -1.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7874 0.9199 -1.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9493 0.0154 -1.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3661 -0.2650 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5583 -1.1513 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9652 -1.3647 1.4586 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1743 -2.2678 1.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8984 -1.9226 2.1298 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2260 0.6403 -1.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1140 1.8139 -2.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1510 0.4384 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1685 1.4340 0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0694 -0.6188 5.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4001 -2.2591 4.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4342 -1.0374 5.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8120 -1.3788 2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4973 0.2766 3.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7341 -2.1633 3.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4958 -0.5619 4.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1624 0.4327 2.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0869 -0.8927 2.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2590 -2.4559 1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6845 -1.4277 1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5511 -0.2164 -3.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8835 -1.6665 -2.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6219 1.2507 -1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3733 0.3142 -2.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2321 -1.3744 -0.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7251 -0.8396 0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6595 1.0407 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7871 -0.4512 1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0718 0.2066 -0.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1282 1.2131 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0 3.6175 3.6323 1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9371 2.0580 0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9666 -3.1523 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0718 -4.3141 -1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6017 -1.3704 -1.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 -2.8324 -2.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7305 -3.3191 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9385 -1.7571 -1.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2620 -1.9128 0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2951 0.1356 1.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0982 -0.2701 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1698 1.2104 -0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1899 1.5355 1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3420 1.0609 1.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1692 -1.1430 1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7769 0.1472 0.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6959 -1.9781 -0.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6670 -2.0770 -2.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7779 -0.0959 -3.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0373 -1.1247 -3.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8439 1.5341 -1.8537 H 0 0 0 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12 13 1 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 2 0 19 21 1 0 21 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 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 23 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 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 2 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 8 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 6 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 22 91 1 0 22 92 1 0 23 93 1 6 24 94 1 0 24 95 1 0 28 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 1 54130 1 0 54131 1 0 54132 1 0 55133 1 0 57134 1 0 57135 1 0 57136 1 0 59137 1 0 59138 1 0 59139 1 0 M END