HMDB0113006 RDKit 3D PE-NMe(14:1(9Z)/20:3(8Z,11Z,14Z)) 122121 0 0 0 0 0 0 0 0999 V2000 -11.7908 2.1414 3.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4234 2.3724 1.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4128 1.1077 0.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9988 0.6046 0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2670 1.6516 -0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1814 2.2467 0.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5825 1.9112 1.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1505 1.3846 1.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5808 1.0600 2.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1503 0.5171 2.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5243 0.1818 3.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 -0.3297 3.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9009 -1.5983 3.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2518 -1.4978 1.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9756 -2.4054 1.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8515 -0.4984 0.8482 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0076 -0.1748 -0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -1.0757 -1.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2579 -2.0898 -2.0362 C 0 0 0 0 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1 0 37101 1 0 38102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 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 50122 1 0 M END