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          "molfile": "\n  Marvin  01132105152D          \n\n 14 13  0  0  1  0            999 V2000\n   -0.4415   -5.8652    0.0000 C   0  0  1  0  0  0  0  0  0  1  0  0\n   -0.4415   -6.6902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2760   -5.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2760   -4.6248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9877   -5.8594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1533   -5.4556    0.0000 C   0  0  1  0  0  0  0  0  0  2  0  0\n   -1.1533   -4.6305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8708   -5.8710    0.0000 C   0  0  2  0  0  0  0  0  0  2  0  0\n   -1.8708   -6.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5826   -5.4614    0.0000 C   0  0  2  0  0  0  0  0  0  2  0  0\n   -2.5826   -4.6364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3001   -5.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0118   -5.4673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3001   -6.7019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  6  0  0  0\n  1  3  1  0  0  0  0\n  1  6  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  3  2  0  0  0  0\n  6  7  1  6  0  0  0\n  6  8  1  0  0  0  0\n  8  9  1  6  0  0  0\n  8 10  1  0  0  0  0\n 10 11  1  1  0  0  0\n 10 12  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 12  2  0  0  0  0\nM  END",
          "smiles": "[C@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O",
          "formula": "C6H10O8",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ABSOLUTE",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "ec395321-4c4d-4597-9385-816fa5109756"
          },
          "defined_stereo": 4,
          "ez_centers": 0,
          "molecular_weight": "210.1391",
          "optical_activity": "UNSPECIFIED",
          "stereo_centers": 4
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "bf3b915f-1cc4-426c-9f46-f46484c7dfb3",
      "version": "17",
      "structure": {
        "id": "54019e2c-6f35-4b8e-a427-c9a1f6bf856a",
        "molfile": "\n  Marvin  01132104222D          \n\n 19 13  0  0  1  0            999 V2000\n   -1.8708   -5.8710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   -1.1533   -5.4556    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   -2.5826   -5.4614    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   -0.4415   -5.8652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   -3.3001   -5.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2760   -5.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0118   -5.4673    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.2760   -4.6248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3001   -6.7019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9877   -5.8594    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -0.4415   -6.6902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5826   -4.6364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1533   -4.6305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8708   -6.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9754   -5.8565    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    3.4569   -5.8565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4569   -5.8565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4569   -5.8565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4569   -5.8565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  8  6  2  0  0  0  0\n  9  5  2  0  0  0  0\n 10  6  1  0  0  0  0\n  4 11  1  6  0  0  0\n  3 12  1  1  0  0  0\n  2 13  1  6  0  0  0\n  1 14  1  6  0  0  0\n  2  1  1  0  0  0  0\n  3  1  1  0  0  0  0\n  4  2  1  0  0  0  0\n  5  3  1  0  0  0  0\n  6  4  1  0  0  0  0\n  7  5  1  0  0  0  0\nM  CHG  3   7  -1  10  -1  15   2\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  4  16  17  18  19\nM  SPA   1  1  16\nM  SDI   1  4    3.0369   -6.2765    3.0369   -5.4365\nM  SDI   1  4    3.8769   -5.4365    3.8769   -6.2765\nM  SMT   1 4\nM  END",
        "smiles": "[C@H]([C@@H]([C@H](C(=O)[O-])O)O)([C@@H](C(=O)[O-])O)O.[Ca+2].O.O.O.O",
        "formula": "C6H8O8.Ca.4H2O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 4,
        "ez_centers": 0,
        "molecular_weight": "320.2623",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "3d0cb028-8db0-41ad-9707-7dede307a578",
          "e56958ce-07ca-46e0-becf-19b9313277f4"
        ],
        "stereo_centers": 4
      },
      "unii": "6AP9J91K4V"
    }
  ]
}