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        "molfile": "\n  Marvin  01132105072D          \n\n 25 23  0  0  0  0            999 V2000\n   10.1764   -6.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1764   -7.5329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8908   -6.2954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6053   -6.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3198   -6.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0342   -6.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7487   -6.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4631   -6.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0331   -5.4705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7463   -6.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4607   -6.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1752   -6.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8897   -6.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6041   -6.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3186   -6.7080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0331   -6.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4619   -6.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7475   -6.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7475   -7.5329    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4619   -7.9453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0331   -7.9453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4619   -7.1204    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.6915   -8.7093    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    3.0318   -6.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1775   -6.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  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  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n 16  9  2  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 18  1  0  0  0  0\n 18 17  1  0  0  0  0\n  1 17  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  2  0  0  0  0\n 19 21  2  0  0  0  0\n 19 22  1  0  0  0  0\n 10 24  1  0  0  0  0\n  8 25  1  0  0  0  0\nM  CHG  2  22  -1  23   1\nM  END",
        "smiles": "CCCCCCOC(=O)CC(C(=O)OCCCCCC)S(=O)(=O)[O-].[Na+]",
        "formula": "C16H29O7S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "388.4537",
        "optical_activity": "( + / - )",
        "references": [
          "6b6c51fb-2c39-478c-9a2b-e21d2a912edc",
          "625403e2-45f3-4aa3-8324-d99aff7ef7b2"
        ],
        "stereo_centers": 1
      },
      "unii": "7YY1T561V4"
    }
  ]
}