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0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 26 28 2 0 0 0 0\n 29 30 1 0 0 0 0\n 29 38 1 0 0 0 0\n 30 31 1 0 0 0 0\n 31 32 1 0 0 0 0\n 32 33 1 0 0 0 0\n 33 34 1 0 0 0 0\n 35 36 1 0 0 0 0\n 35 37 1 0 0 0 0\n 36 38 1 0 0 0 0\n 37 39 1 0 0 0 0\n 38 40 1 0 0 0 0\n 39 40 2 0 0 0 0\nM END", "smiles": "CCCCCCC1C=CC(CCCCCCCC(=O)O)C(/C=C\\CCCCCCCC(=O)O)C1CCCCCC", "formula": "C36H64O4", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "defined_stereo": 0, "ez_centers": 1, "molecular_weight": "560.8923", "optical_activity": "UNSPECIFIED", "references": [ "4241bbde-4221-4795-8cc6-c9171f022973", "ea7645ae-45f8-4bda-b01e-aebcd80ab463" ], "stereo_centers": 4 }, "unii": "5RP695IQQ3" } ] }