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          "molfile": "\n  Marvin  01132100472D          \n\n 12 12  0  0  1  0            999 V2000\n    4.1980   -3.0611    0.0000 C   0  0  1  0  0  0  0  0  0  2  0  0\n    4.1980   -2.1635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8374   -3.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5288   -3.1068    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.4203   -3.3363    0.0000 C   0  0  1  0  0  0  0  0  0  1  0  0\n    2.7318   -2.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0837   -3.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2861   -3.1407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3543   -4.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8908   -4.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1843   -4.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6933   -4.7823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  1  0  0  0\n  1  3  1  0  0  0  0\n  5  1  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  6  1  6  0  0  0\n  5 11  1  0  0  0  0\n  6  7  1  0  0  0  0\n  8  7  1  0  0  0  0\n  7  9  2  3  0  0  0\n 10  9  1  0  0  0  0\n 11  9  1  0  0  0  0\n 12 11  2  0  0  0  0\nM  CHG  1   4  -1\nM  END",
          "smiles": "C([C@@H]([C@@H]1C(=O)C(=C(O)O1)O)O)[O-]",
          "formula": "C6H7O6",
          "atropisomerism": "No",
          "charge": -1,
          "count": 2,
          "stereochemistry": "ABSOLUTE",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 2,
            "units": "MOL RATIO",
            "uuid": "0320c6ff-1349-4915-b35e-d8a68b48edb6"
          },
          "defined_stereo": 2,
          "ez_centers": 0,
          "molecular_weight": "175.1164",
          "optical_activity": "UNSPECIFIED",
          "stereo_centers": 2
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "563dcf36-757d-467b-b3d1-47611fd6e20e",
      "version": "8",
      "structure": {
        "id": "f4622c2d-775b-4a4d-b651-9de629b4b09f",
        "molfile": "\n  Marvin  01132112402D          \n\n 27 26  0  0  1  0            999 V2000\n    9.2062   -3.4480    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0\n    2.3543   -4.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8908   -4.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1843   -4.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6933   -4.7823    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.4203   -3.3363    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    4.0085   -3.9116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1980   -3.0611    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    4.1980   -2.1635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8374   -3.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5288   -3.1068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7318   -2.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0837   -3.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2861   -3.1407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3543   -4.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8908   -4.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1843   -4.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6933   -4.7823    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.4203   -3.3363    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    4.0085   -3.9116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1980   -3.0611    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    4.1980   -2.1635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8374   -3.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5288   -3.1068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7318   -2.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0837   -3.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2861   -3.1407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  3  2  1  0  0  0  0\n  4  2  2  0  0  0  0\n  5  4  1  0  0  0  0\n  6  4  1  0  0  0  0\n  6  7  1  1  0  0  0\n  8  6  1  0  0  0  0\n  8  9  1  1  0  0  0\n 10  8  1  0  0  0  0\n 11 10  1  0  0  0  0\n  6 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13  2  1  0  0  0  0\n 14 13  2  0  0  0  0\n 16 15  1  0  0  0  0\n 17 15  2  0  0  0  0\n 26 15  1  0  0  0  0\n 18 17  1  0  0  0  0\n 19 17  1  0  0  0  0\n 19 20  1  1  0  0  0\n 21 19  1  0  0  0  0\n 19 25  1  0  0  0  0\n 21 22  1  1  0  0  0\n 23 21  1  0  0  0  0\n 24 23  1  0  0  0  0\n 25 26  1  0  0  0  0\n 27 26  2  0  0  0  0\nM  CHG  3   1   2   5  -1  18  -1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16\nM  SAL   1 11  17  18  19  20  21  22  23  24  25  26  27\nM  SPA   1 13   2   3   4   5   6   7   8   9  10  11  12  13  14\nM  SDI   1  4    0.8661   -5.2579    0.8661   -1.7435\nM  SDI   1  4    5.9488   -1.7435    5.9488   -5.2579\nM  SMT   1 2\nM  END",
        "smiles": "C([C@@H]([C@]1([H])C(=C(C(=O)O1)O)[O-])O)O.C([C@@H]([C@]1([H])C(=C(C(=O)O1)O)[O-])O)O.[Fe+2]",
        "formula": "2C6H7O6.Fe",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 4,
        "ez_centers": 0,
        "molecular_weight": "406.078",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "84d4b828-1ad3-4388-8df9-963a5d0f9f21",
          "2dc8a96f-d929-4341-aebe-3d15ed4dab6c"
        ],
        "stereo_centers": 4
      },
      "unii": "DI3477D0PI"
    }
  ]
}