HMDB0113435 RDKit 3D PE-NMe(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)) 138137 0 0 0 0 0 0 0 0999 V2000 -5.3398 -4.0286 -4.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9379 -4.0084 -3.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9515 -2.8492 -2.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5825 -2.8848 -1.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6099 -1.7819 -0.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2668 -1.8953 0.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5241 -0.9562 1.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1807 0.3324 1.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3037 1.4618 1.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8839 2.3925 0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2389 2.4434 -0.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0262 3.6535 -1.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6634 4.5971 -1.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 4.7929 -2.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3521 3.9194 -2.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1297 3.3198 -3.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4405 3.4637 -5.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8186 2.0505 -5.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 2.1483 -7.0228 C 0 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