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        "molfile": "\n  Marvin  01132101192D          \n\n 35 38  0  0  1  0            999 V2000\n    0.8995   -2.7583    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   -0.5293   -2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8995   -3.5833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    2.3458   -2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1839   -2.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5293   -3.5833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    1.6227   -2.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3458   -3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2549   -2.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2549   -3.9884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    1.6227   -3.9884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    0.1839   -3.9884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   -1.9756   -2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9756   -3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0267   -2.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6252   -4.7265    0.0000 N   0  0  2  0  0  0  0  0  0  0  0  0\n    1.6227   -1.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2549   -1.6450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6938   -2.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9170   -2.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0267   -1.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1764   -1.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1236   -3.9735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9617   -4.6892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1715   -4.6519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8170   -2.7807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8787   -4.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6938   -3.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6938   -1.6450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4094   -3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4094   -2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1669   -5.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0661   -5.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5293   -4.2394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8995   -4.1673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  2  5  2  0  0  0  0\n  3  1  1  0  0  0  0\n  4  7  1  0  0  0  0\n  5  1  1  0  0  0  0\n  6  2  1  0  0  0  0\n  7  1  1  0  0  0  0\n  8  4  2  0  0  0  0\n  9  2  1  0  0  0  0\n 10  6  1  0  0  0  0\n 11  3  1  0  0  0  0\n 12  3  1  0  0  0  0\n 13  9  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15  4  1  0  0  0  0\n 11 16  1  1  0  0  0\n 17  7  2  0  0  0  0\n 18  9  2  0  0  0  0\n 19 13  2  0  0  0  0\n  1 20  1  1  0  0  0\n 21 15  2  0  0  0  0\n 22  5  1  0  0  0  0\n 23  8  1  0  0  0  0\n 10 24  1  6  0  0  0\n 12 25  1  1  0  0  0\n 26 15  1  0  0  0  0\n 10 27  1  1  0  0  0\n 28 14  2  0  0  0  0\n 29 19  1  0  0  0  0\n 30 28  1  0  0  0  0\n 31 19  1  0  0  0  0\n 32 16  1  0  0  0  0\n 33 16  1  0  0  0  0\n  6 34  1  1  0  0  0\n  3 35  1  1  0  0  0\n  6 12  1  0  0  0  0\n  8 11  1  0  0  0  0\n 10 14  1  0  0  0  0\n 31 30  2  0  0  0  0\nM  END",
        "smiles": "C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@]([H])([C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)[C@H]([C@@]31[H])O)O)O)O)O",
        "formula": "C22H24N2O9",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 6,
        "ez_centers": 0,
        "molecular_weight": "460.4348",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "336c4db8-5705-45d9-8106-293d8acf1001",
          "e74771b3-0569-4cba-a4bd-a9a29f28ca36"
        ],
        "stereo_centers": 6
      },
      "unii": "SLF0D9077S"
    }
  ]
}