HMDB0114098 RDKit 3D PE-NMe2(18:3(6Z,9Z,12Z)/16:1(9Z)) 125124 0 0 0 0 0 0 0 0999 V2000 -6.8874 4.4976 5.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0329 3.0655 4.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6490 2.5481 4.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5806 1.1838 3.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3049 0.1911 4.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7459 0.1614 6.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2141 -0.8058 6.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0245 -2.2001 6.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5272 -2.6525 5.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8800 -3.0905 4.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4667 -3.2671 3.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4699 -3.0417 4.9166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5194 -2.1352 4.9188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3437 -1.1460 3.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5047 0.1971 4.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3925 1.4170 3.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1446 1.7241 2.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2066 0.8309 1.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6312 0.0434 1.3175 O 0 0 0 0 0 0 0 0 0 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30 90 1 0 32 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 33 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 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 END