{
  "meta": {
    "disclaimer": "Do not rely on openFDA to make decisions regarding medical care. While we make every effort to ensure that data is accurate, you should assume all results are unvalidated. We may limit or otherwise restrict your access to the API in line with our Terms of Service.",
    "terms": "https://open.fda.gov/terms/",
    "license": "https://open.fda.gov/license/",
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          "formula": "C12H20BO12",
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          "charge": -1,
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          "stereochemistry": "ABSOLUTE",
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0  0  0  0\n   25.3708  -11.8840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   26.2147   -8.5647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   28.7391  -10.3985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   28.7391   -8.5647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   26.2147  -10.3985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   26.2216   -5.6047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   28.7323  -13.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   30.2152   -5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   24.7383  -13.8432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   24.3567   -5.7298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   30.5969  -13.2331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   26.1259   -2.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   28.8280  -16.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   26.6969   -7.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   28.2569  -11.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   28.2569   -7.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   26.6969  -11.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   28.7323   -5.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   26.2216  -13.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   27.4767   -4.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   27.4767  -14.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   25.1367   -7.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   29.8169  -11.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   27.4767   -3.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   27.4767  -15.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   27.4767   -9.4814    0.0000 B   0  5  0  0  0  0  0  0  0  0  0  0\n   29.5830   -7.0792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   25.3708  -11.8840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  2 14  1  0  0  0  0\n  2 26  1  0  0  0  0\n  3 15  1  0  0  0  0\n  3 26  1  0  0  0  0\n  4 16  1  0  0  0  0\n  4 26  1  0  0  0  0\n  5 17  1  0  0  0  0\n  5 26  1  0  0  0  0\n  6 14  1  0  0  0  0\n  6 20  1  0  0  0  0\n  7 15  1  0  0  0  0\n  7 21  1  0  0  0  0\n 18  8  1  1  0  0  0\n 19  9  1  1  0  0  0\n 10 22  1  0  0  0  0\n 11 23  1  0  0  0  0\n 12 24  1  0  0  0  0\n 13 25  1  0  0  0  0\n 14 16  1  0  0  0  0\n 14 22  1  1  0  0  0\n 15 17  1  0  0  0  0\n 15 23  1  1  0  0  0\n 16 18  1  0  0  0  0\n 16 27  1  1  0  0  0\n 17 19  1  0  0  0  0\n 17 28  1  1  0  0  0\n 18 20  1  0  0  0  0\n 19 21  1  0  0  0  0\n 20 24  1  6  0  0  0\n 21 25  1  6  0  0  0\n 29 41  1  0  0  0  0\n 29 53  1  0  0  0  0\n 30 42  1  0  0  0  0\n 30 53  1  0  0  0  0\n 31 43  1  0  0  0  0\n 31 53  1  0  0  0  0\n 32 44  1  0  0  0  0\n 32 53  1  0  0  0  0\n 33 41  1  0  0  0  0\n 33 47  1  0  0  0  0\n 34 42  1  0  0  0  0\n 34 48  1  0  0  0  0\n 45 35  1  1  0  0  0\n 46 36  1  1  0  0  0\n 37 49  1  0  0  0  0\n 38 50  1  0  0  0  0\n 39 51  1  0  0  0  0\n 40 52  1  0  0  0  0\n 41 43  1  0  0  0  0\n 41 49  1  1  0  0  0\n 42 44  1  0  0  0  0\n 42 50  1  1  0  0  0\n 43 45  1  0  0  0  0\n 43 54  1  1  0  0  0\n 44 46  1  0  0  0  0\n 44 55  1  1  0  0  0\n 45 47  1  0  0  0  0\n 46 48  1  0  0  0  0\n 47 51  1  6  0  0  0\n 48 52  1  6  0  0  0\nM  STY  1   1 MUL\nM  SAL   1  8   2   3   4   5   6   7   8   9\nM  SAL   1  8  10  11  12  13  14  15  16  17\nM  SAL   1  8  18  19  20  21  22  23  24  25\nM  SAL   1  8  26  27  28  29  30  31  32  33\nM  SAL   1  8  34  35  36  37  38  39  40  41\nM  SAL   1  8  42  43  44  45  46  47  48  49\nM  SAL   1  6  50  51  52  53  54  55\nM  SPA   1  8   2   3   4   5   6   7   8   9\nM  SPA   1  8  10  11  12  13  14  15  16  17\nM  SPA   1  8  18  19  20  21  22  23  24  25\nM  SPA   1  3  26  27  28\nM  SDI   1  4   23.5626  -17.4032   23.5626   -1.5600\nM  SDI   1  4   31.3911   -1.5600   31.3911  -17.4032\nM  SMT   1 2\nM  CHG  3   1   2  26  -1  53  -1\nM  END",
        "smiles": "C([C@@H]1[C@H]([C@@]2([H])[C@@](CO)(O1)O[B-]3(O2)O[C@@]4([H])[C@@H]([C@@H](CO)O[C@@]4(CO)O3)O)O)O.C([C@@H]1[C@H]([C@@]2([H])[C@@](CO)(O1)O[B-]3(O2)O[C@@]4([H])[C@@H]([C@@H](CO)O[C@@]4(CO)O3)O)O)O.[Ca+2]",
        "formula": "2C12H20BO12.Ca",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 16,
        "ez_centers": 0,
        "molecular_weight": "774.2611",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "ede2e844-044d-2234-7161-1ab5283ca066"
        ],
        "stereo_centers": 18
      },
      "unii": "7EW2EZ38LS"
    }
  ]
}