HMDB0113261 RDKit 3D PE-NMe(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) 120119 0 0 0 0 0 0 0 0999 V2000 5.3926 3.3405 6.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9290 3.2629 5.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2172 2.4175 6.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5912 1.3192 6.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 0.5410 5.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 0.9619 4.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3005 1.3276 2.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8224 1.3734 2.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3503 0.4947 1.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3197 0.8535 0.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 2.2845 0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0902 2.6873 -0.7512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8627 3.1022 -1.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 3.2066 -1.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0207 2.3858 -2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7592 0.9258 -2.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4082 0.4541 -3.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0076 0.7915 -4.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8503 1.2583 -5.2354 O 0 0 0 0 0 0 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