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        "molfile": "\n  Marvin  01132105172D          \n\n 25 24  0  0  0  0            999 V2000\n    3.5498   -0.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1151   -2.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4139   -2.4619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2639   -1.2477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6792   -1.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8343   -2.4619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3984   -1.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9677   -0.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8460   -1.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1151   -3.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2693   -1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0968   -0.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8306   -2.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4139   -4.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1191   -0.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8343   -4.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4179   -1.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8343   -4.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7141   -0.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5536   -5.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7024   -3.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1191   -2.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5536   -6.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3  8  1  0  0  0  0\n  4  1  1  0  0  0  0\n  5  9  1  0  0  0  0\n  6  1  2  0  0  0  0\n  7  2  2  0  0  0  0\n  8  5  1  0  0  0  0\n  9  4  1  0  0  0  0\n 10  1  1  0  0  0  0\n 11  2  1  0  0  0  0\n 12  5  1  0  0  0  0\n 13  5  1  0  0  0  0\n 14 10  1  0  0  0  0\n 15 11  1  0  0  0  0\n 16 10  1  0  0  0  0\n 17 11  1  0  0  0  0\n 18 16  1  0  0  0  0\n 19 17  1  0  0  0  0\n 20 18  1  0  0  0  0\n 21 19  1  0  0  0  0\n 22 15  1  0  0  0  0\n 23 14  1  0  0  0  0\n 24 20  1  0  0  0  0\n 25 21  1  0  0  0  0\nM  END",
        "smiles": "CCCCC(CC)C(=O)OCC(C)(C)COC(=O)C(CC)CCCC",
        "formula": "C21H40O4",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "MIXED",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "356.5407",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "9a11f7d3-6224-42a9-b3a4-78abdf56b0da",
          "36eb548d-bb62-4b68-afb4-7b9f749846f9"
        ],
        "stereo_centers": 2
      },
      "unii": "U68ZV6W62C"
    }
  ]
}