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        "molfile": "\n  Marvin  01132113052D          \n\n 28 30  0  0  1  0            999 V2000\n    2.2760   -2.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9905   -1.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7049   -2.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7049   -3.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9905   -3.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2760   -3.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4194   -1.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1338   -2.3597    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    5.1338   -3.1847    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    4.4194   -3.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9184   -3.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9185   -2.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4033   -2.7723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1338   -4.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4193   -4.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1338   -5.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4192   -6.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7048   -5.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7049   -4.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4192   -6.8972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9903   -6.0722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2759   -5.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1338   -4.0097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1338   -1.5347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5616   -3.5972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5616   -1.9471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5616   -1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1320   -1.3079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  3  2  2  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  2  0  0  0  0\n  1  6  2  0  0  0  0\n  6  5  1  0  0  0  0\n  3  7  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  9 11  1  0  0  0  0\n  8 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 11  1  0  0  0  0\n 15 14  2  0  0  0  0\n 10 15  1  0  0  0  0\n 14 16  1  0  0  0  0\n 17 16  2  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  2  0  0  0  0\n 15 19  1  0  0  0  0\n 17 20  1  0  0  0  0\n 18 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n  9 23  1  1  0  0  0\n  8 24  1  6  0  0  0\n  6 25  1  0  0  0  0\n  1 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 12 28  2  0  0  0  0\nM  END",
        "smiles": "COc1cc(ccc1O)C[C@@]2([H])COC(=O)[C@]2([H])Cc3ccc(c(c3)OC)O",
        "formula": "C20H22O6",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 2,
        "ez_centers": 0,
        "molecular_weight": "358.3858",
        "optical_activity": "( - )",
        "references": [
          "97df22e5-2e79-4228-b544-e1212167e256",
          "e986dfdb-ac21-7e54-d8da-e7a2125f7502"
        ],
        "stereo_centers": 2
      },
      "unii": "XLW63P8WUA"
    }
  ]
}