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      "structure": {
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        "molfile": "\n  Marvin  01132110512D          \n\n 45 44  0  0  0  0            999 V2000\n    4.6359   -0.0825    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n   -0.3490   -0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3654   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3490   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -0.3490    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0635   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7780   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4925   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2069   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2069    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4925    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7780    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9214    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4925    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7780    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4925    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2069    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9214   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6359   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9214   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6359   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0799   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7944   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3490   -0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3654   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3490   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -0.3490    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0635   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7780   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4925   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2069   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2069    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4925    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7780    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9214    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4925    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7780    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4925    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2069    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9214   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6359   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9214   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6359   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0799   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7944   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  1  0  0  0  0\n  2  5  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n 11 12  1  0  0  0  0\n  7 12  2  0  0  0  0\n 10 13  1  0  0  0  0\n 14 15  1  0  0  0  0\n 14 16  1  0  0  0  0\n 14 17  1  0  0  0  0\n 11 14  1  0  0  0  0\n 18 19  1  0  0  0  0\n 18 20  1  0  0  0  0\n 18 21  1  0  0  0  0\n  9 18  1  0  0  0  0\n  6  7  1  0  0  0  0\n  2  6  1  0  0  0  0\n 22 23  1  0  0  0  0\n  3 22  1  0  0  0  0\n 24 25  1  0  0  0  0\n 24 26  1  0  0  0  0\n 24 27  2  0  0  0  0\n 24 28  1  0  0  0  0\n 25 44  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 29 34  2  0  0  0  0\n 30 31  2  0  0  0  0\n 31 32  1  0  0  0  0\n 31 40  1  0  0  0  0\n 32 33  2  0  0  0  0\n 32 35  1  0  0  0  0\n 33 34  1  0  0  0  0\n 33 36  1  0  0  0  0\n 36 37  1  0  0  0  0\n 36 38  1  0  0  0  0\n 36 39  1  0  0  0  0\n 40 41  1  0  0  0  0\n 40 42  1  0  0  0  0\n 40 43  1  0  0  0  0\n 44 45  1  0  0  0  0\nM  CHG  3   1   2   4  -1  26  -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 15  17  18  19  20  21  22  23  24  25  26  27  28  29  30  31\nM  SAL   1 14  32  33  34  35  36  37  38  39  40  41  42  43  44  45\nM  SPA   1 15   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16\nM  SPA   1  7  17  18  19  20  21  22  23\nM  SDI   1  4   -5.0559   -2.4825   -5.0559    2.4825\nM  SDI   1  4    2.2144    2.4825    2.2144   -2.4825\nM  SMT   1 2\nM  END",
        "smiles": "CCOP(=O)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)[O-].CCOP(=O)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)[O-].[Ca+2]",
        "formula": "2C17H28O4P.Ca",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "694.8305",
        "optical_activity": "NONE",
        "references": [
          "f86b1610-fad5-4061-83b1-59379723ac3b",
          "01be7abc-a59c-42b7-ac5e-1c65ad79ec60"
        ],
        "stereo_centers": 0
      },
      "unii": "9BO934602W"
    }
  ]
}