HMDB0289585 RDKit 3D PC(P-18:0/18:1(12Z)-O(9S,10R)) 138138 0 0 0 0 0 0 0 0999 V2000 -2.4005 -4.5615 6.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1997 -4.0266 5.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -4.2648 4.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6681 -3.6397 4.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6444 -2.1270 4.8961 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4514 -1.5346 3.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4663 -0.7687 3.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 -0.3445 4.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 1.1224 4.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0019 1.9370 3.1593 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1227 2.1870 4.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4511 2.1135 3.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0869 3.4562 3.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5373 4.6315 2.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4388 4.8565 1.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6918 4.2248 0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8676 2.7799 0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 2.3366 -1.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7816 2.5007 -1.3311 C 0 0 0 0 0 0 0 0 0 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24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 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 1 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 22 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 51 54 1 0 11 9 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 22 86 1 6 23 87 1 0 23 88 1 0 25 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 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 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 52130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 54138 1 0 M CHG 2 47 -1 51 1 M END