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C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2548 -5.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5162 -5.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5162 -6.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3619 -7.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7958 -6.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.0890 -6.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3619 -6.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9274 -7.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6124 -4.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9634 -4.9717 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 9.6544 -5.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.6544 -6.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9274 -6.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2356 -6.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2356 -5.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 60 11 1 0 0 0 0\n 11 3 1 6 0 0 0\n 2 1 1 0 0 0 0\n 4 2 1 6 0 0 0\n 4 3 1 0 0 0 0\n 6 4 1 0 0 0 0\n 6 5 1 1 0 0 0\n 8 6 1 0 0 0 0\n 8 7 1 6 0 0 0\n 10 8 1 0 0 0 0\n 10 9 1 1 0 0 0\n 11 10 1 0 0 0 0\n 64 44 2 0 0 0 0\n 44 43 1 0 0 0 0\n 41 22 1 0 0 0 0\n 22 14 1 1 0 0 0\n 13 12 1 0 0 0 0\n 15 13 1 1 0 0 0\n 15 14 1 0 0 0 0\n 17 15 1 0 0 0 0\n 17 16 1 6 0 0 0\n 19 17 1 0 0 0 0\n 19 18 1 1 0 0 0\n 21 19 1 0 0 0 0\n 21 20 1 6 0 0 0\n 22 21 1 0 0 0 0\n 42 23 1 0 0 0 0\n 41 24 1 1 0 0 0\n 40 25 1 0 0 0 0\n 39 36 1 0 0 0 0\n 34 32 1 0 0 0 0\n 29 26 1 0 0 0 0\n 32 27 2 0 0 0 0\n 28 27 1 0 0 0 0\n 29 28 2 0 0 0 0\n 30 29 1 0 0 0 0\n 31 30 2 0 0 0 0\n 32 31 1 0 0 0 0\n 36 33 2 0 0 0 0\n 35 34 2 0 0 0 0\n 36 35 1 0 0 0 0\n 38 37 2 0 0 0 0\n 43 38 1 0 0 0 0\n 39 38 1 0 0 0 0\n 40 39 2 0 0 0 0\n 41 40 1 0 0 0 0\n 42 41 1 0 0 0 0\n 43 42 2 0 0 0 0\n 61 45 1 0 0 0 0\n 60 46 1 1 0 0 0\n 62 57 1 0 0 0 0\n 55 53 1 0 0 0 0\n 50 47 1 0 0 0 0\n 53 48 2 0 0 0 0\n 49 48 1 0 0 0 0\n 50 49 2 0 0 0 0\n 51 50 1 0 0 0 0\n 52 51 2 0 0 0 0\n 53 52 1 0 0 0 0\n 57 54 2 0 0 0 0\n 56 55 2 0 0 0 0\n 57 56 1 0 0 0 0\n 63 58 2 0 0 0 0\n 65 59 2 0 0 0 0\n 65 60 1 0 0 0 0\n 61 60 1 0 0 0 0\n 62 61 2 0 0 0 0\n 63 62 1 0 0 0 0\n 64 63 1 0 0 0 0\n 65 64 1 0 0 0 0\nM END", "smiles": "c1cc(ccc1/C=C/C(=O)C2=C([C@@](C(=C(/C=C\\3/C(=O)C(=C([C@](C3=O)([C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)O)O)C(=O)/C=C/c5ccc(cc5)O)C2=O)O)([C@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O)O)O)O)O)O", "formula": "C43H42O22", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 12, "ez_centers": 3, "molecular_weight": "910.7821", "optical_activity": "UNSPECIFIED", "references": [ "d0212d95-6564-42a1-b043-c2747fc2ac88", "8e69e8f5-9615-48bb-8ed2-c21278c9ae30" ], "stereo_centers": 12 }, "unii": "P9ZT730WWS" } ] }