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        "molfile": "\n  Marvin  01132104402D          \n\n 35 37  0  0  1  0            999 V2000\n    3.0440   -1.7399    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    1.6004   -2.5531    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    0.8859   -2.9656    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    3.0324   -2.5648    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    2.3149   -2.9743    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    2.3295   -1.3129    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    0.8772   -3.7934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    1.6033   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3149   -3.7934    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    3.8340   -1.4988    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    1.5918   -4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8166   -2.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1743   -2.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3075   -2.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9718   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1743   -4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6864   -0.6710    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.9689    0.5635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8340   -0.6767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    4.5428   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3295   -0.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0295   -4.2059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2573   -0.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0440   -0.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5373   -2.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5373   -3.7934    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    0.8772   -2.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2548   -4.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4245    0.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5428   -1.0805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5918   -3.3751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3063   -2.1523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8772   -4.6154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0295   -3.3868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6739   -0.6710    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  2  8  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  1  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  1  1  0  0  0  0\n  7  3  1  0  0  0  0\n  8  6  1  0  0  0  0\n  9  5  1  0  0  0  0\n 10  1  1  0  0  0  0\n 11  9  1  0  0  0  0\n 12  4  1  0  0  0  0\n 13  3  1  0  0  0  0\n 14 10  1  0  0  0  0\n 15 23  1  0  0  0  0\n 16  7  1  0  0  0  0\n 17 15  1  0  0  0  0\n 18 15  2  0  0  0  0\n 19 10  1  0  0  0  0\n 20 19  1  0  0  0  0\n  6 21  1  6  0  0  0\n  9 22  1  6  0  0  0\n 23 20  1  0  0  0  0\n  1 24  1  1  0  0  0\n 25 13  1  0  0  0  0\n 26 25  1  0  0  0  0\n  3 27  1  1  0  0  0\n 26 28  1  6  0  0  0\n 19 29  1  6  0  0  0\n 10 30  1  6  0  0  0\n  2 31  1  6  0  0  0\n  5 32  1  1  0  0  0\n  7 33  1  1  0  0  0\n  4 34  1  6  0  0  0\n 12 14  1  0  0  0  0\n  5  2  1  0  0  0  0\n  7 11  1  0  0  0  0\n 16 26  1  0  0  0  0\nM  CHG  2  17  -1  35   1\nM  END",
        "smiles": "C[C@H](CCC(=O)[O-])[C@@]1([H])CC[C@@]2([H])[C@@]3([H])[C@]([H])(C[C@@H]([C@]12C)O)[C@@]4(C)CC[C@H](C[C@@]4([H])C[C@H]3O)O.[Na+]",
        "formula": "C24H39O5.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 11,
        "ez_centers": 0,
        "molecular_weight": "430.5541",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "b349f69d-668f-443a-8fdb-7b66a911dc41",
          "df164f3a-71d0-4b82-a1b7-9738720fb0a4"
        ],
        "stereo_centers": 11
      },
      "unii": "NU3Y4CCH8Z"
    }
  ]
}