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0\n 41 42 1 0 0 0 0\n 25 43 2 0 0 0 0\n 24 25 1 0 0 0 0\n 23 24 1 0 0 0 0\n 21 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 60 61 1 0 0 0 0\n 61 62 1 0 0 0 0\n 45 63 2 0 0 0 0\n 44 45 1 0 0 0 0\n 22 44 1 0 0 0 0\n 20 21 1 0 0 0 0\nM END", "smiles": "CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCCCC", "formula": "C57H108O6", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 1, "molecular_weight": "889.466", "optical_activity": "NONE", "references": [ "b5e6a4f7-12d5-4537-a4a1-af2f043fac7e", "9074bd07-68d4-4c5f-a2fd-a9d013314625" ], "stereo_centers": 0 }, "unii": "4KE1Y9738S" } ] }