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        "molfile": "\n  Marvin  01132102212D          \n\n 39 24  0  0  0  0            999 V2000\n   10.1647   -4.0484    0.0000 Mn  0  2  0  0  0  0  0  0  0  0  0  0\n    3.7572   -4.0484    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.4722   -3.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1872   -4.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8975   -3.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6125   -4.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3275   -3.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0380   -4.0484    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.3275   -2.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8975   -2.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8975   -4.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1780   -4.8597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6079   -4.8688    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.4722   -2.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7157   -3.7812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7572   -4.0484    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.4722   -3.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1872   -4.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8975   -3.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6125   -4.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3275   -3.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0380   -4.0484    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.3275   -2.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8975   -2.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8975   -4.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1780   -4.8597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6079   -4.8688    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.4722   -2.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1647   -4.0484    0.0000 Mn  0  2  0  0  0  0  0  0  0  0  0  0\n   10.1647   -4.0484    0.0000 Mn  0  2  0  0  0  0  0  0  0  0  0  0\n   13.7157   -3.7812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7157   -3.7812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7157   -3.7812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7157   -3.7812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7157   -3.7812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7157   -3.7812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7157   -3.7812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7157   -3.7812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7157   -3.7812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  7  9  2  0  0  0  0\n  5 10  1  0  0  0  0\n  5 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n 11 13  1  0  0  0  0\n  3 14  2  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 28  2  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 24  1  0  0  0  0\n 19 25  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 23  2  0  0  0  0\n 21 22  1  0  0  0  0\n 25 26  2  0  0  0  0\n 25 27  1  0  0  0  0\nM  CHG  8   1   2   2  -1   8  -1  13  -1  16  -1  22  -1  27  -1  29   2\nM  CHG  1  30   2\nM  STY  3   1 MUL   2 MUL   3 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   2   3   4   5   6   7   8   9  10  11  12  13  14  16  17\nM  SAL   1 11  18  19  20  21  22  23  24  25  26  27  28\nM  SPA   1 13   2   3   4   5   6   7   8   9  10  11  12  13  14\nM  SDI   1  4    3.3372   -5.2888    3.3372   -2.3909\nM  SDI   1  4    8.4580   -2.3909    8.4580   -5.2888\nM  SMT   1 2\nM  SCN  1   2 HT \nM  SAL   2  3   1  29  30\nM  SPA   2  1   1\nM  SDI   2  4    9.7447   -4.4684    9.7447   -3.6284\nM  SDI   2  4   10.5847   -3.6284   10.5847   -4.4684\nM  SMT   2 3\nM  SCN  1   3 HT \nM  SAL   3 10  15  31  32  33  34  35  36  37  38  39\nM  SPA   3  1  15\nM  SDI   3  4   13.2957   -4.2012   13.2957   -3.3612\nM  SDI   3  4   14.1357   -3.3612   14.1357   -4.2012\nM  SMT   3 10\nM  END",
        "smiles": "C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Mn+2].[Mn+2].[Mn+2].O.O.O.O.O.O.O.O.O.O",
        "formula": "2C6H5O7.3Mn.10H2O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "723.1669",
        "optical_activity": "NONE",
        "references": [
          "0f1e4acf-ec22-49fd-af65-802f03a407de",
          "bd7bff4c-42c6-453d-af93-1591cd878fc1"
        ],
        "stereo_centers": 0
      },
      "unii": "4Z2OA6A13N"
    }
  ]
}