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      "structure": {
        "id": "a26ae5ef-ab77-466c-a250-92e0efc7571e",
        "molfile": "\n  Marvin  01132108262D          \n\n 27 26  0  0  1  0            999 V2000\n    5.5186   -6.3451    0.0000 Mn  0  2  0  0  0  0  0  0  0  0  0  0\n    9.5845   -5.7264    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   10.4095   -5.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8220   -5.0120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1720   -5.0120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1720   -6.4409    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.9170   -7.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4019   -7.8929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0921   -7.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8371   -6.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5045   -5.9560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0525   -6.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6071   -7.8929    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.9256   -6.7764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5845   -5.7264    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   10.4095   -5.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8220   -5.0120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1720   -5.0120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1720   -6.4409    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.9170   -7.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4019   -7.8929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0921   -7.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8371   -6.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5045   -5.9560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0525   -6.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6071   -7.8929    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.9256   -6.7764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  2  5  1  1  0  0  0\n  2  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n  6 11  1  0  0  0  0\n 11 10  1  0  0  0  0\n 10 12  2  0  0  0  0\n  9 13  1  0  0  0  0\n  6 14  1  1  0  0  0\n 15 16  1  0  0  0  0\n 15 18  1  1  0  0  0\n 15 19  1  0  0  0  0\n 16 17  1  0  0  0  0\n 19 20  1  0  0  0  0\n 19 24  1  0  0  0  0\n 19 27  1  1  0  0  0\n 20 21  1  0  0  0  0\n 20 22  2  0  0  0  0\n 22 23  1  0  0  0  0\n 22 26  1  0  0  0  0\n 24 23  1  0  0  0  0\n 23 25  2  0  0  0  0\nM  CHG  3   1   2  13  -1  26  -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    6.6325   -8.3129    6.6325   -4.5920\nM  SDI   1  4   11.2420   -4.5920   11.2420   -8.3129\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.[Mn+2]",
        "formula": "2C6H7O6.Mn",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 4,
        "ez_centers": 0,
        "molecular_weight": "405.1709",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "8ba5bc90-272e-41c1-8e66-3deea3db5838",
          "c75cd526-703a-47dc-be96-3b6c9e613008"
        ],
        "stereo_centers": 4
      },
      "unii": "332B7O278V"
    }
  ]
}