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        "molfile": "\n  Marvin  01132105542D          \n\n 17 12  0  0  0  0            999 V2000\n   12.1980   -2.7806    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0\n    7.8836   -3.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6054   -2.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6202   -1.8128    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.3123   -3.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8836   -3.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6054   -2.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6202   -1.8128    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.3123   -3.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8836   -3.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6054   -2.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6202   -1.8128    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.3123   -3.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8836   -3.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6054   -2.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6202   -1.8128    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.3123   -3.0630    0.0000 C   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  3  5  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 15 17  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 11 13  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  1  0  0  0  0\nM  CHG  5   1   4   4  -1   8  -1  12  -1  16  -1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16\nM  SAL   1  1  17\nM  SPA   1  4   2   3   4   5\nM  SDI   1  4    7.4636   -3.4830    7.4636   -1.3928\nM  SDI   1  4    9.7323   -1.3928    9.7323   -3.4830\nM  SMT   1 4\nM  END",
        "smiles": "CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]",
        "formula": "4C3H7O.Ti",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "284.2155",
        "optical_activity": "NONE",
        "references": [
          "6116574d-c16b-4ac7-9aea-75e4b41c882c",
          "e118c04a-b6d2-4c66-bf75-f38fc2760b27"
        ],
        "stereo_centers": 0
      },
      "modifications": {
        "uuid": "fbbd1e7e-2792-43b9-8b33-64d04ec7601e"
      },
      "unii": "76NX7K235Y"
    }
  ]
}