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        "molfile": "\n  Marvin  01132106512D          \n\n 25 24  0  0  1  0            999 V2000\n   12.9972   -9.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2389   -8.1431    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   10.2389   -8.9680    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    9.5140   -9.3804    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.8017   -8.9680    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    8.8017   -8.1431    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   11.6636   -7.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   12.3759   -7.7224    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   13.1008   -7.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   11.6636   -6.4852    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.0894   -9.3804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5140   -7.7266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0894   -7.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4562   -8.2598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5223  -10.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9554   -9.3804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9554   -7.7266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1613   -6.4415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7256   -7.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3759   -6.0686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9512   -6.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3181   -6.6019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7548   -8.5993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3842   -8.5515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9470   -8.5515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  7  1  0  0  0  0\n  5 11  1  6  0  0  0\n 12  2  1  0  0  0  0\n  6 12  1  0  0  0  0\n  6 13  1  1  0  0  0\n 14 13  1  0  0  0  0\n  4 15  1  1  0  0  0\n  3 16  1  6  0  0  0\n  7 17  1  6  0  0  0\n 17  2  1  0  0  0  0\n  9 18  1  1  0  0  0\n  9 19  1  0  0  0  0\n 20 10  1  0  0  0  0\n 10 21  1  1  0  0  0\n 22 21  1  0  0  0  0\n 19 23  2  0  0  0  0\n  8 24  1  1  0  0  0\n  2 25  1  1  0  0  0\nM  END",
        "smiles": "C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@]1([H])[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O.O",
        "formula": "C12H22O11.H2O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 9,
        "ez_centers": 0,
        "molecular_weight": "360.3123",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "ae79daac-30cc-42bd-9e76-7455c8bcfc98",
          "15f84344-7a29-4a61-92a4-f77d08392ba7"
        ],
        "stereo_centers": 9
      },
      "unii": "DM477EE40D"
    }
  ]
}