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        "molfile": "\n  Marvin  01132107022D          \n\n 29 24  0  0  1  0            999 V2000\n   15.3454   -7.7726    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0\n    8.8553   -7.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5703   -7.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2853   -7.3738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   10.2853   -6.5488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9957   -7.7818    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   11.7107   -7.3693    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   12.4212   -7.7772    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   13.1362   -7.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8512   -7.7726    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   13.1362   -6.5397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4212   -8.6022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7107   -6.5443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9957   -8.6068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.2615   -7.6521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.2615   -7.6521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8553   -7.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5703   -7.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2853   -7.3738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   10.2853   -6.5488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9957   -7.7818    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   11.7107   -7.3693    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   12.4212   -7.7772    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   13.1362   -7.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8512   -7.7726    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   13.1362   -6.5397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4212   -8.6022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7107   -6.5443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9957   -8.6068    0.0000 O   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  4  5  1  1  0  0  0\n  4  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n  9 11  2  0  0  0  0\n  8 12  1  6  0  0  0\n  7 13  1  6  0  0  0\n  6 14  1  6  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  1  0  0  0\n 19 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 21 29  1  6  0  0  0\n 22 23  1  0  0  0  0\n 22 28  1  6  0  0  0\n 23 24  1  0  0  0  0\n 23 27  1  6  0  0  0\n 24 25  1  0  0  0  0\n 24 26  2  0  0  0  0\nM  CHG  3   1   2  10  -1  25  -1\nM  STY  2   1 MUL   2 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   2   3   4   5   6   7   8   9  10  11  12  13  14  17  18\nM  SAL   1 11  19  20  21  22  23  24  25  26  27  28  29\nM  SPA   1 13   2   3   4   5   6   7   8   9  10  11  12  13  14\nM  SDI   1  4    8.4353   -9.0268    8.4353   -6.1197\nM  SDI   1  4   14.2712   -6.1197   14.2712   -9.0268\nM  SMT   1 2\nM  SCN  1   2 HT \nM  SAL   2  2  15  16\nM  SPA   2  1  15\nM  SDI   2  4   17.8415   -8.0721   17.8415   -7.2321\nM  SDI   2  4   18.6815   -7.2321   18.6815   -8.0721\nM  SMT   2 2\nM  END",
        "smiles": "C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Fe+2].O.O",
        "formula": "2C6H11O7.Fe.2H2O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 8,
        "ez_centers": 0,
        "molecular_weight": "482.1709",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "8c91bb4d-9b08-4e13-9e54-faac0ce826c5",
          "59f27a79-9aba-4a97-b492-5e1062759805"
        ],
        "stereo_centers": 8
      },
      "unii": "U1B11I423Z"
    }
  ]
}