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        "molfile": "\n  Marvin  01132101232D          \n\n 21 23  0  0  0  0            999 V2000\n    4.1365   -5.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1365   -5.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8463   -6.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5595   -5.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5595   -5.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8443   -4.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8443   -3.7916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2733   -4.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9907   -5.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7060   -4.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4173   -5.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1346   -4.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1346   -3.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4160   -3.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7060   -3.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8447   -3.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5584   -3.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9907   -5.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2707   -6.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2733   -3.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4220   -6.2626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  5  4  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  7  1  0  0  0  0\n  6  1  1  0  0  0  0\n  5  8  1  0  0  0  0\n  9  8  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  2  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  2  0  0  0  0\n 15 10  1  0  0  0  0\n 13 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 18  9  2  0  0  0  0\n 19 18  1  0  0  0  0\n  4 19  1  0  0  0  0\n  8 20  2  0  0  0  0\n  2 21  1  0  0  0  0\nM  END",
        "smiles": "COc1ccc(cc1)-c2coc3cc(cc(c3c2=O)O)O",
        "formula": "C16H12O5",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "284.2641",
        "optical_activity": "NONE",
        "references": [
          "dbfbc1c7-c041-41bb-a44d-80b4a11dc147",
          "05b7fcd0-f0a1-4981-af5f-854795f2d68b"
        ],
        "stereo_centers": 0
      },
      "unii": "U13J6U390T"
    }
  ]
}