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          "molfile": "\n  Marvin  01132101482D          \n\n 29 28  0  0  1  0            999 V2000\n    8.4413  -12.3512    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.7280  -11.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0102  -12.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7280  -11.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0102  -10.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0102   -9.8717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    7.7280   -9.4592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4413   -9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1591   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8723   -9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5856   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3034   -9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0167   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7343   -9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4477   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1654   -9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8788   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5964   -9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.3097   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.0229   -9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.7408   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.4539   -9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.1718   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.8850   -9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.6029   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4413  -10.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2970   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5792   -9.8717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2970   -8.6342    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  3  2  2  0  0  0  0\n  2  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  1  0  0  0\n  6 27  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  8 26  2  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 20 21  1  0  0  0  0\n 21 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 28 27  2  0  0  0  0\n 29 27  1  0  0  0  0\nM  CHG  2   1  -1  29  -1\nM  END",
          "smiles": "CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]",
          "formula": "C23H41NO5",
          "atropisomerism": "No",
          "charge": -2,
          "count": 1,
          "stereochemistry": "ABSOLUTE",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "8727bb54-fca3-47c1-a25a-616b9325f06e"
          },
          "defined_stereo": 1,
          "ez_centers": 0,
          "molecular_weight": "411.5762",
          "optical_activity": "UNSPECIFIED",
          "stereo_centers": 1
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "e72fa622-4b7a-4327-91e0-97c69996f7dd",
      "version": "7",
      "structure": {
        "id": "038421b7-ce05-4cd6-8a6b-1354748b7601",
        "molfile": "\n  Marvin  01132100292D          \n\n 31 28  0  0  1  0            999 V2000\n   12.4378   -5.6347    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0\n   10.0859   -4.7191    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    8.4413  -12.3512    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.7280  -11.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0102  -12.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7280  -11.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0102  -10.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0102   -9.8717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    7.7280   -9.4592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4413   -9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1591   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8723   -9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5856   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3034   -9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0167   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7343   -9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4477   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1654   -9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8788   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5964   -9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.3097   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.0229   -9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.7408   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.4539   -9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.1718   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.8850   -9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.6029   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4413  -10.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2970   -9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5792   -9.8717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2970   -8.6342    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n  3  4  1  0  0  0  0\n  5  4  2  0  0  0  0\n  4  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  1  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 20 21  1  0  0  0  0\n 21 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  1  0  0  0  0\n 26 27  1  0  0  0  0\n 10 28  2  0  0  0  0\n  8 29  1  0  0  0  0\n 30 29  2  0  0  0  0\n 31 29  1  0  0  0  0\nM  CHG  4   1   1   2   1   3  -1  31  -1\nM  END",
        "smiles": "CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[H+]",
        "formula": "C23H41NO5.Na.H",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 1,
        "ez_centers": 0,
        "molecular_weight": "435.5739",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "18ea2cd7-3c42-4ef5-830b-72294025c0fd",
          "226c80da-e5f9-4992-bcbe-97d44442ec4b"
        ],
        "stereo_centers": 1
      },
      "unii": "65A9F4P024"
    }
  ]
}