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        "molfile": "\n  Marvin  01132101502D          \n\n 36 37  0  0  1  0            999 V2000\n   12.4224   -6.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1359   -6.2209    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   13.8483   -6.6403    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   13.8483   -7.4654    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   13.1359   -7.8711    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   12.4224   -7.4654    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   11.7029   -7.0554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7073   -7.8845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9918   -7.4744    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   10.2875   -7.8803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   10.2875   -8.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9850   -9.1156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5658   -7.4744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5658   -6.6447    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.8554   -6.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1329   -6.6539    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    7.4226   -6.2358    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    6.7080   -6.6539    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    5.9947   -6.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2710   -6.6539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7080   -7.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4226   -5.4061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8554   -7.0639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1329   -8.3962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    7.4593   -8.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7414   -8.3962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8921   -8.8111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2875   -6.2302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   10.2875   -5.3961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9918   -6.6447    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   11.7073   -6.2302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1359   -8.7008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5607   -7.8803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5607   -6.2209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1359   -5.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8416   -4.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  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  6  7  1  6  0  0  0\n  1  6  1  0  0  0  0\n  8  6  1  0  0  0  0\n  9  8  1  6  0  0  0\n 10  9  1  0  0  0  0\n 10 11  1  1  0  0  0\n 11 12  1  0  0  0  0\n 13 10  1  0  0  0  0\n 14 13  1  0  0  0  0\n 14 15  1  6  0  0  0\n 16 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 19 20  2  0  0  0  0\n 18 21  1  1  0  0  0\n 17 22  1  1  0  0  0\n 16 23  1  1  0  0  0\n 24 16  1  0  0  0  0\n 25 24  1  0  0  0  0\n 26 25  1  0  0  0  0\n 24 27  1  6  0  0  0\n 14 28  1  0  0  0  0\n 28 29  1  6  0  0  0\n 30 28  1  0  0  0  0\n  9 30  1  0  0  0  0\n 30 31  1  1  0  0  0\n  5 32  1  1  0  0  0\n  4 33  1  6  0  0  0\n  3 34  1  1  0  0  0\n  2 35  1  6  0  0  0\n 35 36  1  0  0  0  0\nM  END",
        "smiles": "C(=O)[C@@H]([C@H]([C@@]([H])([C@@H](CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@]2([H])[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)O)O)O)O",
        "formula": "C18H32O16",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 14,
        "ez_centers": 0,
        "molecular_weight": "504.4378",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "501c4d11-9e0b-45f2-bd28-3aea33205dac",
          "3038a7af-8645-4c29-81c4-86ab5031483a"
        ],
        "stereo_centers": 14
      },
      "unii": "639K0T34IK"
    }
  ]
}