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36 37 1 0 0 0 0\n 25 37 1 0 0 0 0\n 37 38 1 0 0 0 0\n 38 39 1 0 0 0 0\n 39 40 1 0 0 0 0\n 40 24 1 0 0 0 0\n 37 41 1 1 0 0 0\n 36 42 1 6 0 0 0\n 25 43 1 6 0 0 0\n 24 44 1 1 0 0 0\n 23 45 2 0 0 0 0\n 46 20 1 0 0 0 0\n 47 46 1 0 0 0 0\n 48 47 1 0 0 0 0\n 49 48 1 0 0 0 0\n 50 49 1 0 0 0 0\n 50 51 1 0 0 0 0\n 51 52 1 0 0 0 0\n 53 52 2 0 0 0 0\n 53 54 1 0 0 0 0\n 55 54 2 0 0 0 0\n 55 56 1 0 0 0 0\n 56 57 1 0 0 0 0\n 56 58 1 0 0 0 0\n 55 59 1 0 0 0 0\n 59 60 1 0 0 0 0\n 60 61 1 0 0 0 0\n 53 61 1 0 0 0 0\n 61 62 1 0 0 0 0\n 50 62 1 0 0 0 0\n 62 63 1 0 0 0 0\n 63 64 1 0 0 0 0\n 64 65 1 0 0 0 0\n 65 49 1 0 0 0 0\n 62 66 1 1 0 0 0\n 61 67 1 6 0 0 0\n 50 68 1 6 0 0 0\n 49 69 1 1 0 0 0\n 48 70 2 0 0 0 0\n 71 20 1 0 0 0 0\n 72 71 1 0 0 0 0\n 73 72 1 0 0 0 0\n 74 73 1 0 0 0 0\n 75 74 1 0 0 0 0\n 75 76 1 0 0 0 0\n 76 77 1 0 0 0 0\n 78 77 2 0 0 0 0\n 78 79 1 0 0 0 0\n 80 79 2 0 0 0 0\n 80 81 1 0 0 0 0\n 81 82 1 0 0 0 0\n 82 83 1 0 0 0 0\n 78 83 1 0 0 0 0\n 83 84 1 0 0 0 0\n 75 84 1 0 0 0 0\n 84 85 1 0 0 0 0\n 85 86 1 0 0 0 0\n 86 87 1 0 0 0 0\n 87 74 1 0 0 0 0\n 84 88 1 1 0 0 0\n 83 89 1 6 0 0 0\n 80 90 1 0 0 0 0\n 90 91 1 0 0 0 0\n 90 92 1 0 0 0 0\n 75 93 1 6 0 0 0\n 74 94 1 1 0 0 0\n 73 95 2 0 0 0 0\n 17 96 2 0 0 0 0\n 5 97 1 6 0 0 0\n 4 98 1 1 0 0 0\n 1 99 1 0 0 0 0\n 99100 1 0 0 0 0\n 99101 1 0 0 0 0\nM END", "smiles": "CC(C)C1=CC2=CC[C@]3([H])[C@](C)(CCC[C@@]3(C)C(=O)OCC(COC(=O)[C@]4(C)CCC[C@]5(C)[C@@]6([H])CCC(=CC6=CC[C@]54[H])C(C)C)(COC(=O)[C@]7(C)CCC[C@]8(C)[C@@]9([H])CCC(=CC9=CC[C@]87[H])C(C)C)COC(=O)[C@]%10(C)CCC[C@]%11(C)[C@@]%12([H])CCC(=CC%12=CC[C@]%11%10[H])C(C)C)[C@@]2([H])CC1", "formula": "C85H124O8", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ABSOLUTE", "defined_stereo": 16, "ez_centers": 0, "molecular_weight": "1273.8924", "optical_activity": "UNSPECIFIED", "references": [ "96fff3ff-0de9-4d3f-a74a-b92f660f12af", "2262d954-ec70-4854-aee8-c702d9cb7b92" ], "stereo_centers": 16 }, "unii": "VF71DNS70H" } ] }