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-4.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2099 -4.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9117 -4.5241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 10.7362 -4.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4994 -5.2387 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 8.6748 -5.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9117 -5.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7362 -5.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0468 -6.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3322 -9.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0468 -9.4989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6176 -9.4989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6176 -10.3235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.3322 -10.7358 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 5.0468 -10.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3322 -11.5603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 5.0468 -11.9726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6176 -11.9726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.6176 -12.7972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9029 -11.5603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.9029 -10.7358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1883 -11.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4737 -11.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6176 -8.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0468 -8.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 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 6 5 1 0 0 0 0\n 7 6 1 0 0 0 0\n 8 7 1 0 0 0 0\n 9 8 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 7 12 1 0 0 0 0\n 4 13 1 0 0 0 0\n 13 12 1 0 0 0 0\n 13 14 1 1 0 0 0\n 13 15 1 0 0 0 0\n 16 15 1 0 0 0 0\n 2 17 1 0 0 0 0\n 17 16 1 0 0 0 0\n 17 18 1 6 0 0 0\n 4 18 1 6 0 0 0\n 17 19 1 0 0 0 0\n 20 19 1 1 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 6 0 0 0\n 23 22 1 6 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 1 0 0 0\n 24 26 1 0 0 0 0\n 26 27 1 1 0 0 0\n 26 28 1 0 0 0 0\n 28 29 1 6 0 0 0\n 28 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 23 31 1 0 0 0 0\n 30 32 1 1 0 0 0\n 21 33 1 0 0 0 0\n 33 34 1 1 0 0 0\n 35 34 1 1 0 0 0\n 35 36 1 0 0 0 0\n 36 37 1 6 0 0 0\n 36 38 1 0 0 0 0\n 38 39 1 1 0 0 0\n 38 40 1 0 0 0 0\n 40 41 1 6 0 0 0\n 40 42 1 0 0 0 0\n 42 43 1 0 0 0 0\n 35 43 1 0 0 0 0\n 42 44 1 1 0 0 0\n 44 45 1 0 0 0 0\n 33 46 1 0 0 0 0\n 46 47 1 6 0 0 0\n 46 48 1 0 0 0 0\n 48 49 1 0 0 0 0\n 20 49 1 0 0 0 0\n 48 50 1 1 0 0 0\n 50 51 1 0 0 0 0\n 12 52 1 6 0 0 0\n 8 53 1 0 0 0 0\n 53 54 2 0 0 0 0\n 53 55 1 0 0 0 0\n 56 55 1 1 0 0 0\n 56 57 1 0 0 0 0\n 57 58 1 6 0 0 0\n 57 59 1 0 0 0 0\n 59 60 1 1 0 0 0\n 59 61 1 0 0 0 0\n 61 62 1 6 0 0 0\n 61 63 1 0 0 0 0\n 63 64 1 0 0 0 0\n 56 64 1 0 0 0 0\n 63 65 1 1 0 0 0\n 65 66 1 0 0 0 0\n 8 67 1 1 0 0 0\n 7 68 1 1 0 0 0\nM END", "smiles": "C=C1C[C@]23CC[C@@]4([H])[C@@](C)(CCC[C@@]4(C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O)[C@]3([H])CC[C@@]1(C2)O[C@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@@H](CO)O7)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@H](C)O8)O)O)O", "formula": "C44H70O22", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 26, "ez_centers": 0, "molecular_weight": "951.0151", "optical_activity": "UNSPECIFIED", "references": [ "a5c1e99f-56d0-468a-bf5f-f39dc31fb020", "5667ef11-4821-4ab0-bc79-67902f74067f" ], "stereo_centers": 26 }, "unii": "FE0M8Z5L2E" } ] }