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          "formula": "C16H29O7S",
          "atropisomerism": "No",
          "charge": -1,
          "count": 1,
          "stereochemistry": "MIXED",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "b562e4bb-2240-4772-ac5f-4501120b06fb"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "365.464",
          "optical_activity": "UNSPECIFIED",
          "stereo_centers": 3
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "524061a9-1603-4973-b532-9908012931e7",
      "version": "5",
      "structure": {
        "id": "c3159b14-d9a4-435b-9d62-48a6d1fdd935",
        "molfile": "\n  Marvin  01132110052D          \n\n 25 23  0  0  0  0            999 V2000\n    4.2708   -3.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1424   -3.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9849   -3.2906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4283   -3.7106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2708   -4.5298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1424   -2.4714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8495   -3.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5636   -3.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5636   -2.4714    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7375   -2.4714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3828   -2.4714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5636   -1.6453    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.9849   -4.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9849   -5.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6990   -6.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6990   -7.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6990   -4.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4131   -5.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4283   -2.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4283   -1.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7141   -0.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7141    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7141   -2.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3629   -1.7363    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  1  3  2  0  0  0  0\n  1  5  1  0  0  0  0\n  1  8  1  0  0  0  0\n  2  7  1  0  0  0  0\n  2  4  2  0  0  0  0\n  2  6  1  0  0  0  0\n  5 13  1  0  0  0  0\n  6 19  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  0  0  0  0\n  9 11  2  0  0  0  0\n  9 12  1  0  0  0  0\n 13 14  1  0  0  0  0\n 13 17  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 15 18  1  0  0  0  0\n 19 20  1  0  0  0  0\n 19 23  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 21 24  1  0  0  0  0\nM  CHG  2  12  -1  25   1\nM  END",
        "smiles": "CC(C)CC(C)OC(=O)CC(C(=O)OC(C)CC(C)C)S(=O)(=O)[O-].[Na+]",
        "formula": "C16H29O7S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "MIXED",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "388.4537",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "6e7e5cfc-2809-4f8a-81c5-dfed23420ac3",
          "8f85b855-ce45-488e-bc49-8e29dc3ee361"
        ],
        "stereo_centers": 3
      },
      "unii": "AA05A04D8O"
    }
  ]
}