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62 63 1 0 0 0 0\n 64 44 1 0 0 0 0\n 64 65 1 0 0 0 0\n 66 65 1 0 0 0 0\n 66 67 2 0 0 0 0\n 66 68 1 0 0 0 0\n 68 69 1 0 0 0 0\n 69 70 1 0 0 0 0\n 70 71 1 0 0 0 0\n 71 72 1 0 0 0 0\n 72 73 1 0 0 0 0\n 73 74 1 0 0 0 0\n 74 75 1 0 0 0 0\n 75 76 1 0 0 0 0\n 76 77 1 0 0 0 0\n 77 78 1 0 0 0 0\n 78 79 1 0 0 0 0\n 79 80 1 0 0 0 0\n 80 81 1 0 0 0 0\n 81 82 1 0 0 0 0\n 82 83 1 0 0 0 0\n 40 84 1 0 0 0 0\n 18 85 1 0 0 0 0\n 83 86 1 0 0 0 0\n 63 87 1 0 0 0 0\nM END", "smiles": "CCCCCCCCCCCCCCCCCC(=O)OCC(COCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC", "formula": "C78H150O9", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "1232.0232", "optical_activity": "UNSPECIFIED", "references": [ "608cdfb3-430f-4d66-b3a2-0fc5bf9c0a64", "21b0fded-46cb-58c2-4b9c-6b9cc1340697" ], "stereo_centers": 2, "stereo_comments": "Assumed mixed" }, "unii": "NP0UUB6V8K" } ] }