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47 1 0 0 0 0\n 46 48 1 0 0 0 0\n 43 49 2 0 0 0 0\n 50 41 1 0 0 0 0\n 50 51 1 6 0 0 0\n 52 51 1 0 0 0 0\n 52 53 2 0 0 0 0\n 52 54 1 0 0 0 0\n 54 55 1 0 0 0 0\n 55 56 1 0 0 0 0\n 55 57 1 0 0 0 0\n 52 58 2 0 0 0 0\n 19 50 1 0 0 0 0\n 17 59 1 1 0 0 0\n 59 60 1 0 0 0 0\n 61 60 1 0 0 0 0\n 61 62 2 0 0 0 0\n 61 63 1 0 0 0 0\n 63 64 1 0 0 0 0\n 64 65 1 0 0 0 0\n 64 66 1 0 0 0 0\n 61 67 2 0 0 0 0\n 17 68 1 0 0 0 0\n 14 68 1 0 0 0 0\n 68 69 1 6 0 0 0\n 70 69 1 0 0 0 0\n 70 71 2 0 0 0 0\n 70 72 1 0 0 0 0\n 72 73 1 0 0 0 0\n 73 74 1 0 0 0 0\n 73 75 1 0 0 0 0\n 70 76 2 0 0 0 0\n 15 77 1 6 0 0 0\n 77 78 1 0 0 0 0\n 79 78 1 0 0 0 0\n 79 80 2 0 0 0 0\n 79 81 1 0 0 0 0\n 81 82 1 0 0 0 0\n 82 83 1 0 0 0 0\n 82 84 1 0 0 0 0\n 79 85 2 0 0 0 0\nM STY 6 1 GEN 2 GEN 3 GEN 4 DAT 5 DAT 6 DAT\nM SAL 1 1 5\nM SDI 1 4 9.7801 -4.8416 9.7801 -4.0016\nM SDI 1 4 10.6201 -4.0016 10.6201 -4.8416\nM SAL 2 15 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20\nM SAL 2 15 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35\nM SAL 2 15 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50\nM SAL 2 15 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65\nM SAL 2 15 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80\nM SAL 2 5 81 82 83 84 85\nM SDI 2 4 7.3029 -21.7325 7.3029 -10.6999\nM SDI 2 4 19.9744 -10.6999 19.9744 -21.7325\nM SAL 3 4 1 2 3 4\nM SDI 3 4 -0.1002 -10.6540 -0.1002 -7.1472\nM SDI 3 4 3.8899 -7.1472 3.8899 -10.6540\nM SAL 4 1 5\nM SDT 4 FDAREG_SGROUP \nM SDD 4 12.5407 -6.0386 DA ALL 1 5 \nM SED 4 C\nM SAL 5 4 1 2 3 4\nM SDT 5 FDAREG_SGROUP \nM SDD 5 5.0614 -11.4383 DA ALL 1 5 \nM SED 5 B\nM SAL 6 15 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20\nM SAL 6 15 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35\nM SAL 6 15 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50\nM SAL 6 15 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65\nM SAL 6 15 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80\nM SAL 6 5 81 82 83 84 85\nM SDT 6 FDAREG_SGROUP \nM SDD 6 22.3879 -22.1499 DA ALL 1 5 \nM SED 6 A\nM END", "smiles": "C([C@@H]1[C@H]([C@@H]([C@H]([C@]([H])(O1)O[C@@]2(COS(=O)(=O)O[Al](O)O)[C@H]([C@@H]([C@@H](COS(=O)(=O)O[Al](O)O)O2)OS(=O)(=O)O[Al](O)O)OS(=O)(=O)O[Al](O)O)OS(=O)(=O)O[Al](O)O)OS(=O)(=O)O[Al](O)O)OS(=O)(=O)O[Al](O)O)OS(=O)(=O)O[Al](O)O.[Al](O)(O)O.O", "formula": "C12H30Al8O51S8.H2O.AlH3O3", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 9, "ez_centers": 0, "molecular_weight": "1558.7366", "optical_activity": "UNSPECIFIED", "references": [ "fc7bbd9a-624f-422d-a869-6ec8fc1fed22", "c9f4eb58-93b0-4743-8fbb-b08eae782da1", "31f9d46d-ede3-498e-9e8e-620c991d82ba" ], "stereo_centers": 9 }, "unii": "XX73205DH5" } ] }