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          "molfile": "\n  Marvin  01132111252D          \n\n 26 25  0  0  0  0            999 V2000\n   -3.5657   -4.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8517   -4.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1294   -4.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4112   -4.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6972   -4.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0251   -4.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7432   -4.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4572   -4.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1712   -4.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8935   -4.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6117   -4.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3256   -4.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0479   -4.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7661   -4.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4801   -4.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2024   -4.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9164   -4.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6346   -4.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3485   -4.6972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0625   -4.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0625   -3.4572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7765   -4.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4905   -4.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2044   -4.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9184   -4.2755    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   12.2044   -5.5156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  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  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 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 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 21 20  2  0  0  0  0\n 20 22  1  0  0  0  0\n 22 23  2  0  0  0  0\n 23 24  1  0  0  0  0\n 25 24  1  0  0  0  0\n 26 24  2  0  0  0  0\nM  CHG  1  25  -1\nM  END",
          "smiles": "CCCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)[O-]",
          "formula": "C22H39O4",
          "atropisomerism": "No",
          "charge": -1,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "492a82cf-5236-45f1-a09c-0ea5011dfd6f"
          },
          "defined_stereo": 0,
          "ez_centers": 1,
          "molecular_weight": "367.5435",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "6f1ab2e6-8b2c-43a9-a58c-02ca0b9c4240",
      "version": "15",
      "structure": {
        "id": "4b852168-b694-4daf-aa12-34f887f9b553",
        "molfile": "\n  Marvin  01132103572D          \n\n 27 25  0  0  0  0            999 V2000\n   12.2044   -4.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4905   -4.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7765   -4.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0625   -4.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9184   -4.2755    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   12.2044   -5.5156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0625   -3.4572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3485   -4.6972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6346   -4.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9164   -4.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8517   -4.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1294   -4.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7432   -4.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4572   -4.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1712   -4.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8935   -4.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6117   -4.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3256   -4.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0479   -4.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7661   -4.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4801   -4.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2024   -4.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4112   -4.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6972   -4.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0251   -4.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5657   -4.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6324   -4.2755    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  2  0  0  0  0\n  4  3  1  0  0  0  0\n  5  1  1  0  0  0  0\n  6  1  2  0  0  0  0\n  7  4  2  0  0  0  0\n  8  4  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 23  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 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  1  0  0  0  0\n 21 22  1  0  0  0  0\n 22 10  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 13  1  0  0  0  0\n 26 11  1  0  0  0  0\nM  CHG  2   5  -1  27   1\nM  END",
        "smiles": "CCCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)[O-].[Na+]",
        "formula": "C22H39O4.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "390.5333",
        "optical_activity": "NONE",
        "references": [
          "5a5ebbf1-6b1f-438f-9f7b-5e7396a165ea",
          "38f5c2a3-9e03-4534-ac8e-214ba8e2c2ff"
        ],
        "stereo_centers": 0
      },
      "unii": "7CV7WJK4UI"
    }
  ]
}