{
  "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/",
    "last_updated": "2025-09-19",
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          "smiles": "[Ca+2]",
          "formula": "Ca",
          "atropisomerism": "No",
          "charge": 2,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
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            "units": "MOL RATIO",
            "uuid": "5fedd09c-4273-4194-9a8a-e3d20f7103c4"
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          "molfile": "\n  Marvin  01132101112D          \n\n 22 21  0  0  1  0            999 V2000\n    7.3973   -8.3598    0.0000 C   0  0  1  0  0  0  0  0  0  1  0  0\n    7.3695   -9.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1252   -7.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1529   -7.1469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8254   -8.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5534   -8.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2536   -8.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9815   -8.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0092   -7.2429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6817   -8.5038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4097   -8.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1100   -8.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8380   -8.1634    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5382   -8.5997    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9744   -7.8994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2384   -9.0359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1019   -9.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6970   -7.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2608   -8.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1333   -7.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9967   -7.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2688   -7.8756    0.0000 O   0  5  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 18  1  0  0  0  0\n  3  4  2  0  0  0  0\n  3  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  8 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 14 16  2  0  0  0  0\n 14 17  2  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 21 22  1  0  0  0  0\nM  CHG  1  22  -1\nM  END",
          "smiles": "CC(C)(C[O-])[C@H](C(=O)NCCC(=O)NCCSS(=O)(=O)O)O",
          "formula": "C11H21N2O7S2",
          "atropisomerism": "No",
          "charge": -1,
          "count": 2,
          "stereochemistry": "ABSOLUTE",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 2,
            "units": "MOL RATIO",
            "uuid": "b958a55a-1b34-4502-8374-dee0024b0aa5"
          },
          "defined_stereo": 1,
          "ez_centers": 0,
          "molecular_weight": "357.4263",
          "optical_activity": "UNSPECIFIED",
          "stereo_centers": 1
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "b2998a8a-b455-41cd-a6be-8e132f487997",
      "version": "8",
      "structure": {
        "id": "207e5b74-f7e8-40af-b6c3-e9a91dd2c114",
        "molfile": "\n  Marvin  01132101502D          \n\n 45 42  0  0  1  0            999 V2000\n   18.3237   -8.9066    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    8.1252   -7.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3973   -8.3598    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    6.6970   -7.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9967   -7.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2688   -7.8756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2608   -8.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1333   -7.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3695   -9.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8254   -8.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5534   -8.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2536   -8.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9815   -8.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6817   -8.5038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4097   -8.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1100   -8.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8380   -8.1634    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0092   -7.2429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1529   -7.1469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5382   -8.5997    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9744   -7.8994    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   15.2384   -9.0359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1019   -9.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1252   -7.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3973   -8.3598    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    6.6970   -7.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9967   -7.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2688   -7.8756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2608   -8.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1333   -7.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3695   -9.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8254   -8.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5534   -8.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2536   -8.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9815   -8.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6817   -8.5038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4097   -8.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1100   -8.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8380   -8.1634    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0092   -7.2429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1529   -7.1469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5382   -8.5997    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9744   -7.8994    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   15.2384   -9.0359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1019   -9.2999    0.0000 O   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  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  4  7  1  0  0  0  0\n  4  8  1  0  0  0  0\n  3  9  1  6  0  0  0\n  2 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 13 18  2  0  0  0  0\n  2 19  2  0  0  0  0\n 17 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 20 22  2  0  0  0  0\n 20 23  2  0  0  0  0\n 24 25  1  0  0  0  0\n 24 32  1  0  0  0  0\n 24 41  2  0  0  0  0\n 25 26  1  0  0  0  0\n 25 31  1  6  0  0  0\n 26 27  1  0  0  0  0\n 26 29  1  0  0  0  0\n 26 30  1  0  0  0  0\n 27 28  1  0  0  0  0\n 32 33  1  0  0  0  0\n 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 35 36  1  0  0  0  0\n 35 40  2  0  0  0  0\n 36 37  1  0  0  0  0\n 37 38  1  0  0  0  0\n 38 39  1  0  0  0  0\n 39 42  1  0  0  0  0\n 42 43  1  0  0  0  0\n 42 44  2  0  0  0  0\n 42 45  2  0  0  0  0\nM  CHG  3   1   2  21  -1  43  -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    4.8488   -9.7199    4.8488   -6.7269\nM  SDI   1  4   15.6584   -6.7269   15.6584   -9.7199\nM  SMT   1 2\nM  END",
        "smiles": "CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCSS(=O)(=O)[O-])O.CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCSS(=O)(=O)[O-])O.[Ca+2]",
        "formula": "2C11H21N2O7S2.Ca",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 2,
        "ez_centers": 0,
        "molecular_weight": "754.9305",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "7ebb0973-50cc-4712-919e-6b4fef63d9e2"
        ],
        "stereo_centers": 2
      },
      "unii": "9TK73A4X7E"
    }
  ]
}