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18 19 20\nM SAL 1 15 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35\nM SAL 1 15 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50\nM SAL 1 5 51 52 53 54 55\nM SPA 1 15 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20\nM SPA 1 10 21 22 23 24 25 26 27 28 29 30\nM SDI 1 4 1.9924 -8.0522 1.9924 -3.4974\nM SDI 1 4 8.4138 -3.4974 8.4138 -8.0522\nM SMT 1 2\nM END", "smiles": "C=C[C@H]1C[N@@]2CC[C@H]1C[C@@]2([H])[C@@H](c3ccnc4ccc(cc34)OC)O.C=C[C@H]1C[N@@]2CC[C@H]1C[C@@]2([H])[C@@H](c3ccnc4ccc(cc34)OC)O.OS(=O)(=O)O", "formula": "2C20H24N2O2.H2O4S", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 10, "ez_centers": 0, "molecular_weight": "746.9146", "optical_activity": "UNSPECIFIED", "references": [ "38b5ac64-3fed-462b-aad7-5a23373620bc", "4ffa07a1-69e0-4739-86aa-1dbdf383bf46" ], "stereo_centers": 10 }, "unii": "M4XCR57IWG" } ] }