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          "molfile": "\n  Marvin  01132100582D          \n\n 29 28  0  0  1  0            999 V2000\n   -0.0994   -3.1188    0.0000 C   0  0  2  0  0  0  0  0  0  2  0  0\n   -0.8141   -3.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8141   -4.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5266   -4.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5266   -5.5960    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -2.2436   -4.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6153   -3.5307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3260   -3.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3260   -2.2934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0406   -3.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7560   -3.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4707   -3.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1860   -3.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9007   -3.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6161   -3.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3307   -3.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0454   -3.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7608   -3.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4754   -3.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1908   -3.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9008   -3.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6161   -3.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3303   -3.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1101   -3.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8228   -3.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6022   -3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0994   -2.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6153   -1.8823    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -0.8136   -1.8823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  7  1  1  0  0  0\n  1 27  1  0  0  0  0\n  3  2  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  8 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 27 28  1  0  0  0  0\n 27 29  2  0  0  0  0\nM  CHG  2   5  -1  28  -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": "44f047a0-d148-4958-89d6-0a0a51f7b01b"
          },
          "defined_stereo": 1,
          "ez_centers": 0,
          "molecular_weight": "411.5762",
          "optical_activity": "UNSPECIFIED",
          "stereo_centers": 1
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "8e16fef0-52a5-48c6-b903-01848db48c29",
      "version": "6",
      "structure": {
        "id": "2dc3360c-8ed9-454b-96a8-a64948c4fcc8",
        "molfile": "\n  Marvin  01132102282D          \n\n 31 28  0  0  1  0            999 V2000\n    1.3259   -3.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0405   -3.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7558   -3.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4705   -3.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1857   -3.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9004   -3.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6157   -3.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3303   -3.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0450   -3.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7603   -3.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4749   -3.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1902   -3.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9002   -3.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6154   -3.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3296   -3.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1093   -3.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8220   -3.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6014   -3.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6153   -3.5305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0994   -3.1186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   -0.8140   -3.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8140   -4.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5265   -4.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5265   -5.5957    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -2.2435   -4.3597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0994   -2.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6153   -1.8822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8135   -1.8822    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.3259   -2.2933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2329   -1.6338    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   -3.2329   -1.6338    0.0000 Na  0  3  0  0  0  0  0  0  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 19  1  1  0  0  0  0\n 20 19  1  0  0  0  0\n 20 21  1  1  0  0  0\n 22 21  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 23 25  2  0  0  0  0\n 20 26  1  0  0  0  0\n 26 27  2  0  0  0  0\n 26 28  1  0  0  0  0\n  1 29  2  0  0  0  0\n  1  2  1  0  0  0  0\nM  CHG  4  24  -1  28  -1  30   1  31   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  30  31\nM  SPA   1  1  30\nM  SDI   1  4   -3.6529   -2.0538   -3.6529   -1.2138\nM  SDI   1  4   -2.8129   -1.2138   -2.8129   -2.0538\nM  SMT   1 2\nM  END",
        "smiles": "CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]",
        "formula": "C23H41NO5.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 1,
        "ez_centers": 0,
        "molecular_weight": "457.5558",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "a9d30f73-a5c7-4f69-953b-bd9ea8011276",
          "05b3ee7a-fac9-4dd2-83e2-2ec276f83eea"
        ],
        "stereo_centers": 1
      },
      "unii": "45ASM2L11M"
    }
  ]
}