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      "structure": {
        "id": "54c7fadb-cfff-494d-aa5d-46e909a5b595",
        "molfile": "\n  Marvin  01132104252D          \n\n 35 33  0  0  0  0            999 V2000\n   10.3598    0.2062    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    8.9309    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2164   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5019    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7875   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7875   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0730    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3585   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0730    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2164   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9309    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6454   -0.2062    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.6441    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9296   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2151    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5006   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7862    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7862   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5006    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2151   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9296    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6441   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.3585    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.0730   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.7875    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.5019   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.2164    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.9309   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -9.6454    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  -10.3598   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6441    1.0313    0.0000 O   0  0  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  2  0  0  0  0\n  5  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  1  0  0  0  0\n  3 10  1  0  0  0  0\n  2 11  2  0  0  0  0\n  2 12  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 27 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n 33 34  1  0  0  0  0\n 13 35  2  0  0  0  0\n  8 13  1  0  0  0  0\nM  CHG  2   1   1  12  -1\nM  END",
        "smiles": "CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].[Na+]",
        "formula": "C28H51O6.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "MIXED",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "506.6918",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "2306d1ec-4b5a-4026-9321-c1a2ba297581",
          "8b8ea6df-7ba4-48a1-8a2e-a2473e60189f"
        ],
        "stereo_centers": 2
      },
      "unii": "B2LDE4QGZY"
    }
  ]
}