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10.2174 -9.3286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 10.8181 -8.7632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7690 -8.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0139 -9.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5877 -8.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3675 -9.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4044 -8.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9878 -9.4347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4215 -8.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3985 -10.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0 0\n 3 2 1 0 0 0 0\n 4 3 1 0 0 0 0\n 5 4 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 8 7 1 6 0 0 0\n 9 8 1 0 0 0 0\n 9 10 1 1 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 11 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 15 17 2 0 0 0 0\n 9 18 1 0 0 0 0\n 18 19 1 6 0 0 0\n 20 19 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 2 0 0 0 0\n 21 23 1 0 0 0 0\n 23 24 2 0 0 0 0\n 24 25 1 0 0 0 0\n 26 24 1 0 0 0 0\n 27 26 2 0 0 0 0\n 27 28 1 0 0 0 0\n 29 27 1 0 0 0 0\n 30 29 2 0 0 0 0\n 23 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 32 31 1 0 0 0 0\n 32 33 1 0 0 0 0\n 33 34 1 0 0 0 0\n 34 35 2 0 0 0 0\n 35 36 1 0 0 0 0\n 36 37 1 0 0 0 0\n 36 38 2 0 0 0 0\n 38 39 1 0 0 0 0\n 38 40 1 0 0 0 0\n 40 33 2 0 0 0 0\n 32 20 2 0 0 0 0\n 41 18 1 0 0 0 0\n 42 41 1 0 0 0 0\n 42 43 1 6 0 0 0\n 43 44 1 0 0 0 0\n 45 44 1 6 0 0 0\n 46 45 1 0 0 0 0\n 46 47 1 1 0 0 0\n 48 47 1 0 0 0 0\n 48 49 1 0 0 0 0\n 49 50 1 0 0 0 0\n 50 51 1 0 0 0 0\n 51 52 1 0 0 0 0\n 51 53 2 0 0 0 0\n 48 54 2 0 0 0 0\n 46 55 1 0 0 0 0\n 55 56 1 1 0 0 0\n 57 56 1 0 0 0 0\n 57 58 2 0 0 0 0\n 57 59 1 0 0 0 0\n 59 60 1 0 0 0 0\n 60 61 1 0 0 0 0\n 61 62 2 0 0 0 0\n 61 63 1 0 0 0 0\n 55 64 1 0 0 0 0\n 64 65 1 6 0 0 0\n 66 65 1 0 0 0 0\n 66 67 1 0 0 0 0\n 67 68 1 0 0 0 0\n 68 69 1 0 0 0 0\n 69 70 1 0 0 0 0\n 69 71 2 0 0 0 0\n 66 72 2 0 0 0 0\n 64 73 1 0 0 0 0\n 73 74 1 1 0 0 0\n 73 75 1 0 0 0 0\n 75 45 1 0 0 0 0\n 76 42 1 0 0 0 0\n 76 77 1 1 0 0 0\n 78 77 1 0 0 0 0\n 78 79 2 0 0 0 0\n 78 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 2 0 0 0 0\n 82 84 1 0 0 0 0\n 8 76 1 0 0 0 0\n 2 85 2 0 0 0 0\nM END", "smiles": "C[C@H]1[C@@H]([C@H]([C@H]([C@H](OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3-c5ccc(c(c5)O)O)O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)O1)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O", "formula": "C51H54O34", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 10, "ez_centers": 0, "molecular_weight": "1210.9561", "optical_activity": "UNSPECIFIED", "references": [ "89cdf57a-c5b9-4358-8d89-251758fb557c", "fd5ca3c2-3da9-4aef-b386-0a7922e57498" ], "stereo_centers": 10 }, "unii": "88H869LO4X" } ] }