HMDB0285675 RDKit 3D PC(18:3(9,11,15)-OH(13)/14:0) 125124 0 0 0 0 0 0 0 0999 V2000 0.2655 3.0509 4.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 2.2717 5.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9051 1.6701 5.9547 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0093 0.3746 6.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2742 -0.2996 6.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4103 0.6534 6.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5341 -0.1348 6.9021 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7701 1.3429 5.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6334 0.8020 4.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0070 1.5313 2.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8566 0.9640 1.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2455 1.7334 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2985 1.2752 -0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1918 0.0295 -1.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1026 -1.2196 -0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0432 -2.4806 -1.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8917 -2.5214 -2.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5431 -2.3672 -1.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4938 -2.5450 -2.5689 C 0 0 0 0 0 0 0 0 0 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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