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        "molfile": "\n  Marvin  01132100562D          \n\n 31 29  0  0  0  0            999 V2000\n   12.3234   -5.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3234   -5.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6087   -4.7510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8984   -5.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8984   -5.9869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1836   -4.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4688   -5.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7541   -4.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0393   -5.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3245   -4.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6097   -5.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8996   -4.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1847   -5.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4700   -4.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7552   -5.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0450   -4.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3302   -5.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6154   -4.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9006   -5.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1858   -4.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5289   -5.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1858   -3.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0381   -4.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7530   -5.1629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4678   -4.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4678   -3.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1826   -5.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1826   -5.9869    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   15.8973   -4.7510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0381   -3.9223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.6379   -7.0279    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  1  0  0  0  0\n  4  3  1  0  0  0  0\n  4  5  2  0  0  0  0\n  6  4  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  1  0  0  0  0\n 20 21  1  0  0  0  0\n 22 20  1  0  0  0  0\n  2 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 25 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 27 29  2  0  0  0  0\n 23 30  2  0  0  0  0\nM  CHG  2  28  -1  31   1\nM  END",
        "smiles": "CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].[Na+]",
        "formula": "C24H43O6.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "MIXED",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "450.5853",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "20f9f5ae-6e0e-4259-b2a5-50b464fdab07",
          "5f19be0e-d464-4a90-bd34-64b032a9b940"
        ],
        "stereo_centers": 2
      },
      "unii": "8730J0D3EV"
    }
  ]
}