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        "molfile": "\n  Marvin  01132103512D          \n\n 14 13  0  0  0  0            999 V2000\n    3.0962   -7.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1545   -6.5617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9771   -6.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2386   -6.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0235   -6.5617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5438   -6.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2995   -6.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0962   -8.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6515   -6.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9887   -7.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8111   -6.4425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6018   -6.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1395   -6.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1453   -7.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0  0  0  0\n  3  4  2  0  0  0  0\n  4  6  1  0  0  0  0\n  5  1  1  0  0  0  0\n  6 11  1  0  0  0  0\n  7  5  1  0  0  0  0\n  8  1  1  0  0  0  0\n  9  3  1  0  0  0  0\n 10  3  1  0  0  0  0\n 11 13  1  0  0  0  0\n 12  7  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\nM  END",
        "smiles": "CC(=CCCC(C)CCOC(=O)C)C",
        "formula": "C12H22O2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "198.3023",
        "optical_activity": "( + / - )",
        "references": [
          "09a9a66c-be1b-4c1a-82d6-a258a12e1895",
          "682c4439-0426-4d91-ac14-d4b0f97c4c30"
        ],
        "stereo_centers": 1
      },
      "unii": "IZ420RT3OY"
    }
  ]
}