HMDB0113002 RDKit 3D PE-NMe(14:1(9Z)/18:3(9Z,12Z,15Z)) 116115 0 0 0 0 0 0 0 0999 V2000 -13.4975 0.4287 0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0613 0.9284 -0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7602 1.9624 0.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8137 1.9073 1.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9314 0.7843 1.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5030 0.8573 1.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7568 1.8297 1.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1693 3.1548 0.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9994 3.6240 -0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5651 3.0493 -1.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0987 1.6789 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6773 1.5780 -2.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7279 2.2932 -1.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3498 2.1015 -1.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 2.7299 -1.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0539 2.3056 0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8424 0.8605 0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6483 0.3347 -0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1314 0.9442 -0.8725 O 0 0 0 0 0 0 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