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        "molfile": "METHYL DIHYDROJASMONATE, CIS-(-)-\n  Marvin  01132113102D          \n\n 16 16  0  0  0  0            999 V2000\n   12.8174   -5.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6359   -4.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.4517   -6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9380   -4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.7146   -4.7996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8086   -5.9062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7451   -4.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8448   -1.7169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.0390   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9446   -5.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0447   -3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.2207   -2.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1682   -3.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.2990   -4.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8448   -3.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.4305   -3.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n 12  9  1  0  0  0  0\n  2  1  1  0  0  0  0\n  4  2  1  0  0  0  0\n  6  3  1  0  0  0  0\n  7  4  1  0  0  0  0\n 10  5  2  0  0  0  0\n 10  6  1  0  0  0  0\n 11  7  1  0  0  0  0\n 12  8  2  0  0  0  0\n 13  9  1  0  0  0  0\n 14 10  1  0  0  0  0\n 15 11  1  0  0  0  0\n 15 12  1  0  0  0  0\n 16 13  1  0  0  0  0\n 16 14  1  0  0  0  0\n 16 15  1  0  0  0  0\nM  END",
        "smiles": "CCCCCC1C(CCC1=O)CC(=O)OC",
        "formula": "C13H22O3",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "MIXED",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "226.3125",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "b7fb4356-80c2-a130-d705-89c660f290db"
        ],
        "stereo_centers": 2
      },
      "unii": "3GW44CIE3Y"
    }
  ]
}