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0\n 40 41 1 0 0 0 0\n 41 42 1 0 0 0 0\n 42 43 2 0 0 0 0\n 43 44 1 0 0 0 0\n 44 45 1 0 0 0 0\n 45 46 1 0 0 0 0\n 46 47 1 0 0 0 0\n 47 48 1 0 0 0 0\n 48 49 1 0 0 0 0\n 49 50 1 0 0 0 0\n 50 51 1 0 0 0 0\nM END", "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@]32[H])C1", "formula": "C45H78O2", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 8, "ez_centers": 1, "molecular_weight": "651.1013", "optical_activity": "UNSPECIFIED", "references": [ "345beac0-ca11-49dc-9368-b18884f34978", "4ac43ddd-f71a-46fd-8e21-42ac1e7a3f32" ], "stereo_centers": 8 }, "unii": "3DPK9KFN2M" } ] }