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0 0 0 0 0 0 0 0 0 0 0\n -4.5888 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5888 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3033 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.3033 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0177 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.0177 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.7322 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3020 -2.4750 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 4 5 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 2 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 1 19 2 0 0 0 0\n 1 20 1 0 0 0 0\n 21 22 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 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 24 42 2 0 0 0 0\n 23 24 1 0 0 0 0\n 22 23 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 45 61 2 0 0 0 0\n 44 45 1 0 0 0 0\n 43 44 1 0 0 0 0\n 21 43 1 0 0 0 0\n 20 21 1 0 0 0 0\nM END", "smiles": "CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCCCC", "formula": "C55H104O6", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "RACEMIC", "defined_stereo": 0, "ez_centers": 1, "molecular_weight": "861.4127", "optical_activity": "( + / - )", "references": [ "d0e9e223-b7c6-45c3-bf61-10f41a51a789", "329be701-29ea-4c66-baa1-f727f3394b8f" ], "stereo_centers": 1 }, "unii": "9VUP3L6WT6" } ] }