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        "molfile": "\n  Marvin  01132106022D          \n\n 16 16  0  0  1  0            999 V2000\n    9.3522   -3.6636    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.5986   -3.9992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.6851   -4.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4934   -4.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9052   -4.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0736   -5.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8837   -3.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1690   -3.9992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3738   -3.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5786   -3.9992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7835   -3.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5243   -2.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9128   -2.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1157   -2.5210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1221   -1.5099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5391   -0.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  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  1  5  1  0  0  0  0\n  3  6  2  0  0  0  0\n  2  7  1  6  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  1 12  1  1  0  0  0\n 13 12  1  0  0  0  0\n 13 14  2  0  0  0  0\n 13 15  1  0  0  0  0\n 15 16  1  0  0  0  0\nM  END",
        "smiles": "CCCCC[C@@H]1[C@H](CCC1=O)CC(=O)OC",
        "formula": "C13H22O3",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 2,
        "ez_centers": 0,
        "molecular_weight": "226.3125",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "80fc8802-0217-4d67-b5c7-68ab695ab6d7",
          "55cae60a-6211-433e-9b81-67b95f7b313c"
        ],
        "stereo_centers": 2
      },
      "unii": "XM1C2C5MMN"
    }
  ]
}