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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.8824 -4.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.5971 -3.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3117 -4.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0263 -3.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7409 -4.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4555 -3.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1701 -4.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.8848 -3.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.8848 -2.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.5994 -4.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1655 -4.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 5 4 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 20 22 1 0 0 0 0\n 5 23 2 0 0 0 0\n 2 24 1 0 0 0 0\n 25 24 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 27 28 1 0 0 0 0\n 28 29 1 0 0 0 0\n 29 30 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 34 35 1 0 0 0 0\n 35 36 1 0 0 0 0\n 36 37 1 0 0 0 0\n 37 38 1 0 0 0 0\n 38 39 1 0 0 0 0\n 39 40 1 0 0 0 0\n 40 41 1 0 0 0 0\n 40 42 1 0 0 0 0\n 25 43 2 0 0 0 0\n 1 44 1 0 0 0 0\n 45 44 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\n 51 52 1 0 0 0 0\n 52 53 1 0 0 0 0\n 53 54 1 0 0 0 0\n 54 55 1 0 0 0 0\n 55 56 1 0 0 0 0\n 56 57 1 0 0 0 0\n 57 58 1 0 0 0 0\n 58 59 1 0 0 0 0\n 59 60 1 0 0 0 0\n 60 61 1 0 0 0 0\n 60 62 1 0 0 0 0\n 45 63 2 0 0 0 0\nM END", "smiles": "CC(C)CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C", "formula": "C57H110O6", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "891.4819", "optical_activity": "NONE", "references": [ "c68bf7ab-e42b-44ec-8b8c-5ac3195c2f86", "ecee7b15-be62-4f5a-bffa-8f10c1b53628" ], "stereo_centers": 0 }, "unii": "71503RH8KG" } ] }