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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7875 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7875 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 3 7 2 0 0 0 0\n 3 8 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 9 14 2 0 0 0 0\n 12 15 1 0 0 0 0\n 16 17 1 0 0 0 0\n 16 19 1 0 0 0 0\n 16 18 1 0 0 0 0\n 11 16 1 0 0 0 0\n 5 9 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 2 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 2 0 0 0 0\n 24 25 1 0 0 0 0\n 20 25 2 0 0 0 0\n 23 26 1 0 0 0 0\n 27 28 1 0 0 0 0\n 27 30 1 0 0 0 0\n 27 29 1 0 0 0 0\n 22 27 1 0 0 0 0\n 5 20 1 0 0 0 0\n 1 8 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 31 35 2 0 0 0 0\n 31 36 1 0 0 0 0\n 37 38 1 0 0 0 0\n 38 39 2 0 0 0 0\n 39 40 1 0 0 0 0\n 40 41 2 0 0 0 0\n 41 42 1 0 0 0 0\n 37 42 2 0 0 0 0\n 40 43 1 0 0 0 0\n 44 45 1 0 0 0 0\n 44 47 1 0 0 0 0\n 44 46 1 0 0 0 0\n 39 44 1 0 0 0 0\n 33 37 1 0 0 0 0\n 48 49 1 0 0 0 0\n 49 50 2 0 0 0 0\n 50 51 1 0 0 0 0\n 51 52 2 0 0 0 0\n 52 53 1 0 0 0 0\n 48 53 2 0 0 0 0\n 51 54 1 0 0 0 0\n 55 56 1 0 0 0 0\n 55 58 1 0 0 0 0\n 55 57 1 0 0 0 0\n 50 55 1 0 0 0 0\n 33 48 1 0 0 0 0\n 2 36 1 0 0 0 0\nM END", "smiles": "CC(C)(C)c1cc(ccc1O)C(C)(CC(=O)OCCOC(=O)CC(C)(c2ccc(c(c2)C(C)(C)C)O)c3ccc(c(c3)C(C)(C)C)O)c4ccc(c(c4)C(C)(C)C)O", "formula": "C50H66O8", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "795.0561", "optical_activity": "NONE", "references": [ "1d7cce43-cad8-4e09-9011-cb6f50e9cabc", "b8c173f1-2fe4-4b83-8e24-6ae7d995e810" ], "stereo_centers": 0 }, "unii": "2IRE6XVP1D" } ] }