HMDB0285673 RDKit 3D PC(18:3(10,12,15)-OH(9)/14:0) 125124 0 0 0 0 0 0 0 0999 V2000 -5.0101 6.1005 4.9369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5442 5.7398 5.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 4.8217 3.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6667 3.5855 4.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2803 2.6886 3.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8624 2.2736 3.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0452 2.6091 3.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 2.1473 3.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3687 2.4725 4.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7671 1.9581 4.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7326 0.6703 4.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5948 2.8828 3.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0016 3.0100 2.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8823 3.9645 1.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3054 4.1605 0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1810 2.9258 -0.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4814 2.2285 -0.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1175 0.9434 -1.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3429 1.2746 -2.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5156 2.3880 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0 0 0 0 -5.1817 -0.7273 5.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9253 0.2956 4.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5756 -0.6256 4.9987 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 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 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 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 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 22 81 1 0 22 82 1 0 23 83 1 1 24 84 1 0 24 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 33 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 35 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 51125 1 0 M CHG 2 28 -1 32 1 M END