{
  "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": "CCCCCCC(C)(C)C(=O)[O-]",
          "formula": "C10H19O2",
          "atropisomerism": "No",
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          "count": 3,
          "stereochemistry": "ACHIRAL",
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          "smiles": "C=CCOCC(CC)(C[O-])COCC=C",
          "formula": "C12H21O3",
          "atropisomerism": "No",
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      "version": "6",
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0  0  0  0  0\n   11.6694   -4.3487    0.0000 Zr  0  0  0  0  0  0  0  0  0  0  0  0\n    8.7146   -5.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5479   -5.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8457   -3.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5601   -4.6768    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.8457   -4.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1313   -4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4168   -4.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7023   -4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9879   -4.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2735   -4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5590   -4.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8445   -4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7146   -5.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5479   -5.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8457   -3.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5601   -4.6768    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.8457   -4.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1313   -4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4168   -4.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7023   -4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9879   -4.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2735   -4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5590   -4.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8445   -4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  5  4  1  0  0  0  0\n  5  3  2  0  0  0  0\n  6  5  1  0  0  0  0\n  6  2  1  0  0  0  0\n  6  1  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  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 14 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  2  0  0  0  0\n 14 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  2  0  0  0  0\n 13 27  1  0  0  0  0\n 46 41  1  0  0  0  0\n 46 42  1  0  0  0  0\n 45 43  2  0  0  0  0\n 45 44  1  0  0  0  0\n 46 45  1  0  0  0  0\n 47 46  1  0  0  0  0\n 48 47  1  0  0  0  0\n 49 48  1  0  0  0  0\n 50 49  1  0  0  0  0\n 51 50  1  0  0  0  0\n 52 51  1  0  0  0  0\n 34 29  1  0  0  0  0\n 34 30  1  0  0  0  0\n 33 31  2  0  0  0  0\n 33 32  1  0  0  0  0\n 34 33  1  0  0  0  0\n 35 34  1  0  0  0  0\n 36 35  1  0  0  0  0\n 37 36  1  0  0  0  0\n 38 37  1  0  0  0  0\n 39 38  1  0  0  0  0\n 40 39  1  0  0  0  0\nM  CHG  5   4  -1  27  -1  28   4  32  -1  44  -1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   1   2   3   4   5   6   7   8   9  10  11  12  29  30  31\nM  SAL   1 15  32  33  34  35  36  37  38  39  40  41  42  43  44  45  46\nM  SAL   1  6  47  48  49  50  51  52\nM  SPA   1 12   1   2   3   4   5   6   7   8   9  10  11  12\nM  SDI   1  4    3.4245   -5.6802    3.4245   -3.0194\nM  SDI   1  4    9.9801   -3.0194    9.9801   -5.6802\nM  SMT   1 3\nM  END",
        "smiles": "C=CCOCC(CC)(C[O-])COCC=C.CCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-].[Zr+4]",
        "formula": "C12H21O3.3C10H19O2.Zr",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "818.2886",
        "optical_activity": "NONE",
        "references": [
          "f4e68178-d047-4cb3-a262-9c294c6af31c",
          "0a4d9522-1f17-4ea2-b4e9-cc1010cbb370"
        ],
        "stereo_centers": 0
      },
      "unii": "T3U3096Q86"
    }
  ]
}