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0 0 0 0\n 7.2420 -9.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9354 -8.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1082 -9.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0878 -9.9554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5152 -6.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5152 -7.4913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0 0\n 3 2 1 0 0 0 0\n 4 3 2 0 0 0 0\n 5 4 1 0 0 0 0\n 6 5 2 0 0 0 0\n 7 6 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 3 1 0 0 0 0\n 10 8 1 0 0 0 0\n 11 10 1 0 0 0 0\n 12 10 1 0 0 0 0\n 13 10 1 0 0 0 0\n 5 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 14 16 1 0 0 0 0\n 14 17 1 0 0 0 0\n 18 1 1 0 0 0 0\n 19 18 2 0 0 0 0\n 20 18 1 0 0 0 0\n 21 20 1 0 0 0 0\n 22 21 1 0 0 0 0\n 23 22 2 0 0 0 0\n 24 23 1 0 0 0 0\n 25 24 1 0 0 0 0\n 26 25 1 0 0 0 0\n 27 25 1 0 0 0 0\n 28 25 1 0 0 0 0\n 24 29 2 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 2 0 0 0 0\n 31 22 1 0 0 0 0\n 32 30 1 0 0 0 0\n 33 32 1 0 0 0 0\n 34 32 1 0 0 0 0\n 35 32 1 0 0 0 0\n 36 29 1 0 0 0 0\n 20 37 1 0 0 0 0\n 38 37 2 0 0 0 0\n 37 39 1 0 0 0 0\n 40 39 1 0 0 0 0\n 41 40 1 0 0 0 0\n 42 41 1 0 0 0 0\n 43 42 2 0 0 0 0\n 44 43 1 0 0 0 0\n 45 44 1 0 0 0 0\n 46 44 1 0 0 0 0\n 47 44 1 0 0 0 0\n 43 48 1 0 0 0 0\n 48 49 2 0 0 0 0\n 49 50 1 0 0 0 0\n 50 41 2 0 0 0 0\n 51 49 1 0 0 0 0\n 51 52 1 0 0 0 0\n 51 53 1 0 0 0 0\n 51 54 1 0 0 0 0\n 55 48 1 0 0 0 0\n 39 56 1 0 0 0 0\n 57 56 2 0 0 0 0\n 56 1 1 0 0 0 0\nM END", "smiles": "CC(C)(C)c1cc(cc(c1O)C(C)(C)C)Cn2c(=O)n(Cc3cc(c(c(c3)C(C)(C)C)O)C(C)(C)C)c(=O)n(Cc4cc(c(c(c4)C(C)(C)C)O)C(C)(C)C)c2=O", "formula": "C48H69N3O6", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "784.0798", "optical_activity": "NONE", "references": [ "f1b6f27b-f726-4194-a503-732b9108a190", "442ff129-6cfc-4b40-8e2c-af565180382b" ], "stereo_centers": 0 }, "unii": "680V3MP8YT" } ] }