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        "molfile": "\n  Marvin  01132104332D          \n\n 21 12  0  0  0  0            999 V2000\n   10.4389   -4.5919    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.9121   -4.5919    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    7.5020   -4.5657    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5020   -3.5662    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.7496   -4.5657    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.5020   -5.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2542   -4.5657    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.5020   -4.5657    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5020   -3.5662    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.7496   -4.5657    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.5020   -5.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2542   -4.5657    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.5020   -4.5657    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5020   -3.5662    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.7496   -4.5657    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.5020   -5.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2542   -4.5657    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.9121   -4.5919    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    3.9121   -4.5919    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    3.9121   -4.5919    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    3.9121   -4.5919    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n  3  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  3  6  2  0  0  0  0\n  3  7  1  0  0  0  0\n 13 14  1  0  0  0  0\n 13 15  1  0  0  0  0\n 13 16  2  0  0  0  0\n 13 17  1  0  0  0  0\n  8  9  1  0  0  0  0\n  8 10  1  0  0  0  0\n  8 11  2  0  0  0  0\n  8 12  1  0  0  0  0\nM  CHG  8   1  -1   2   2   4  -1   5  -1   7  -1   9  -1  10  -1  12  -1\nM  CHG  7  14  -1  15  -1  17  -1  18   2  19   2  20   2  21   2\nM  STY  2   1 MUL   2 MUL\nM  SCN  1   1 HT \nM  SAL   1  5   2  18  19  20  21\nM  SPA   1  1   2\nM  SDI   1  4    3.4921   -5.0119    3.4921   -4.1719\nM  SDI   1  4    4.3321   -4.1719    4.3321   -5.0119\nM  SMT   1 5\nM  SCN  1   2 HT \nM  SAL   2 15   3   4   5   6   7   8   9  10  11  12  13  14  15  16  17\nM  SPA   2  5   3   4   5   6   7\nM  SDI   2  4    6.3296   -5.8833    6.3296   -3.1462\nM  SDI   2  4    8.6742   -3.1462    8.6742   -5.8833\nM  SMT   2 3\nM  END",
        "smiles": "[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[OH-]",
        "formula": "5Ca.3O4P.HO",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "502.3116",
        "optical_activity": "NONE",
        "references": [
          "18a3c9b7-201a-4aa6-81b3-af57166dcdd3",
          "a487392a-fda6-4f34-bf08-af5737b0bfad"
        ],
        "stereo_centers": 0
      },
      "unii": "91D9GV0Z28"
    }
  ]
}