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0 0 0 0 0 0 0 0 0\n 25.8268 -10.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.5602 -9.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0789 -9.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.9148 -8.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.0339 -7.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.1076 -6.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 26.5960 -7.9584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 25.8354 -11.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 31.2465 -9.2023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 34.0126 -10.4092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 3 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 12 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 17 19 1 0 0 0 0\n 14 20 2 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 2 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 2 0 0 0 0\n 26 28 1 0 0 0 0\n 23 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 29 31 2 0 0 0 0\n 31 32 1 0 0 0 0\n 32 33 2 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 2 0 0 0 0\n 35 38 1 0 0 0 0\n 38 39 2 0 0 0 0\n 38 40 1 0 0 0 0\n 33 40 1 0 0 0 0\n 34 41 1 0 0 0 0\n 31 42 1 0 0 0 0\n 22 42 1 0 0 0 0\n 20 43 1 0 0 0 0\n 11 43 1 0 0 0 0\nM END", "smiles": "C=CC/1=C(C)C(=O)N\\C1=C/c2c(C)c(CCC(=O)O)c(Cc3c(CCC(=O)O)c(C)c(/C=C\\4/C(=C(C=C)C(=O)N4)C)[nH]3)[nH]2", "formula": "C33H36N4O6", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "984299b5-159d-4af8-9a7c-f6d32337694a" }, "defined_stereo": 0, "ez_centers": 2, "molecular_weight": "584.6634", "optical_activity": "NONE", "stereo_centers": 0 } ], "definition_level": "COMPLETE", "uuid": "e0356064-bd07-4df4-99a0-71d44f390168", "version": "64", "structure": { "id": "cf1d6cce-d445-4c3a-92b4-d9ff3bac2225", "molfile": "\n JSDraw212062315262D\n\n 43 46 0 0 0 0 0 V2000\n 36.4825 -15.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35.0065 -16.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 33.8312 -15.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 32.3104 -15.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 31.6966 -16.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 31.5155 -14.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.9615 -14.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 32.5363 -13.0416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 33.9690 -13.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35.3102 -12.8672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35.2908 -11.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.5384 -10.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 38.0264 -10.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.0416 -8.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.9452 -7.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 36.2961 -6.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 37.1997 -4.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 38.7528 -5.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 36.5506 -3.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 34.4893 -8.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 33.5629 -7.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 32.0129 -7.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 30.9694 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 31.2869 -5.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 30.1228 -4.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 30.4402 -2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 31.9217 -2.1097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 29.2762 -1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 29.5476 -7.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 28.1923 -6.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.7188 -8.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 28.5622 -9.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.0773 -9.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.8268 -10.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.5602 -9.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0789 -9.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.9148 -8.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.0339 -7.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.1076 -6.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 26.5960 -7.9584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 25.8354 -11.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 31.2465 -9.2023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 34.0126 -10.4092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 3 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 12 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 17 19 1 0 0 0 0\n 14 20 2 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 2 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 2 0 0 0 0\n 26 28 1 0 0 0 0\n 23 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 29 31 2 0 0 0 0\n 31 32 1 0 0 0 0\n 32 33 2 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 2 0 0 0 0\n 35 38 1 0 0 0 0\n 38 39 2 0 0 0 0\n 38 40 1 0 0 0 0\n 33 40 1 0 0 0 0\n 34 41 1 0 0 0 0\n 31 42 1 0 0 0 0\n 22 42 1 0 0 0 0\n 20 43 1 0 0 0 0\n 11 43 1 0 0 0 0\nM END", "smiles": "C=CC/1=C(C)C(=O)N\\C1=C/c2c(C)c(CCC(=O)O)c(Cc3c(CCC(=O)O)c(C)c(/C=C\\4/C(=C(C=C)C(=O)N4)C)[nH]3)[nH]2", "formula": "C33H36N4O6", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 2, "molecular_weight": "584.6634", "optical_activity": "NONE", "references": [ "d135e314-3b31-46a9-ad37-6457fb7df17a", "73e2578e-6e10-4a89-8217-7845948829ac" ], "stereo_centers": 0 }, "unii": "RFM9X3LJ49" } ] }