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24 1 0 0 0 0\n 17 27 1 0 0 0 0\n 28 6 1 0 0 0 0\n 28 29 1 1 0 0 0\n 3 28 1 0 0 0 0\n 28 30 1 0 0 0 0\n 30 31 1 1 0 0 0\n 32 30 1 0 0 0 0\n 33 32 1 0 0 0 0\n 33 34 1 6 0 0 0\n 33 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 1 0 0 0\n 40 38 1 0 0 0 0\n 40 41 1 0 0 0 0\n 40 42 1 0 0 0 0\n 43 40 1 0 0 0 0\n 43 44 1 6 0 0 0\n 45 43 1 0 0 0 0\n 45 46 1 6 0 0 0\n 46 47 1 0 0 0 0\n 47 48 1 1 0 0 0\n 47 49 1 0 0 0 0\n 49 50 1 1 0 0 0\n 49 51 1 0 0 0 0\n 51 52 1 6 0 0 0\n 51 53 1 0 0 0 0\n 53 54 1 1 0 0 0\n 55 53 1 0 0 0 0\n 55 56 1 6 0 0 0\n 56 57 1 0 0 0 0\n 58 55 1 0 0 0 0\n 47 58 1 0 0 0 0\n 59 45 1 0 0 0 0\n 2 59 1 0 0 0 0\n 35 43 1 0 0 0 0\n 35 60 1 1 0 0 0\n 2 33 1 0 0 0 0\n 3 61 1 6 0 0 0\nM END", "smiles": "CC(=CCC[C@@](C)([C@@]1([H])CC[C@]2(C)[C@]1([H])[C@@H](C[C@]3([H])[C@@]4(C)CC[C@@H](C(C)(C)[C@]4([H])[C@H](C[C@]32C)O[C@@]5([H])[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O)O)O)C", "formula": "C42H72O14", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 21, "ez_centers": 0, "molecular_weight": "801.0143", "optical_activity": "UNSPECIFIED", "references": [ "76f81a3a-8f62-4699-b5de-d5cb8c2e07da", "78c5af23-d33c-41e5-b64c-b3ebdb549d3c" ], "stereo_centers": 21 }, "unii": "PJ788634QY" } ] }