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0 0\n 42 41 1 0 0 0 0\n 26 43 2 0 0 0 0\n 3 44 1 0 0 0 0\n 44 45 1 0 0 0 0\n 1 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 50 49 1 0 0 0 0\n 51 50 1 0 0 0 0\n 52 51 1 0 0 0 0\n 53 52 1 0 0 0 0\n 54 53 1 0 0 0 0\n 55 54 1 0 0 0 0\n 56 55 1 0 0 0 0\n 57 56 1 0 0 0 0\n 58 57 1 0 0 0 0\n 59 58 1 0 0 0 0\n 60 59 1 0 0 0 0\n 61 60 1 0 0 0 0\n 62 61 1 0 0 0 0\n 63 62 1 0 0 0 0\n 64 63 1 0 0 0 0\n 65 64 1 0 0 0 0\n 66 65 1 0 0 0 0\n 50 67 2 0 0 0 0\n 47 68 1 0 0 0 0\n 68 69 1 0 0 0 0\n 70 69 1 0 0 0 0\n 71 70 1 0 0 0 0\n 72 71 1 0 0 0 0\n 73 72 1 0 0 0 0\n 74 73 1 0 0 0 0\n 75 74 1 0 0 0 0\n 76 75 1 0 0 0 0\n 77 76 1 0 0 0 0\n 78 77 1 0 0 0 0\n 79 78 1 0 0 0 0\n 80 79 1 0 0 0 0\n 81 80 1 0 0 0 0\n 82 81 1 0 0 0 0\n 83 82 1 0 0 0 0\n 84 83 1 0 0 0 0\n 85 84 1 0 0 0 0\n 86 85 1 0 0 0 0\n 70 87 2 0 0 0 0\n 47 88 1 0 0 0 0\n 88 89 1 0 0 0 0\n 65 90 1 0 0 0 0\n 85 91 1 0 0 0 0\n 21 92 1 0 0 0 0\n 41 93 1 0 0 0 0\nM END", "smiles": "CCC(COCC(CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C", "formula": "C84H162O9", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "1316.1829", "optical_activity": "NONE", "references": [ "47c3545e-f84e-43c2-90e7-a185b3b0aa40", "d47044ed-94ea-4d23-90f9-78e91cca91b9" ], "stereo_centers": 0 }, "unii": "Y604A9MZT5" } ] }