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        "molfile": "\n  Marvin  01132103292D          \n\n 31 34  0  0  1  0            999 V2000\n    4.2257   -1.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5112   -1.4409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7968   -1.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7968   -2.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0823   -3.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3678   -2.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3678   -1.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0823   -1.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0823   -0.6159    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    1.3678   -0.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3678    0.6216    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    2.0823    1.0341    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    2.7968    0.6216    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    2.7968   -0.2034    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    3.5112   -0.6159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5112    1.0341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0823    1.8591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6533    1.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0611    0.6216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3678   -1.0284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6533   -1.4409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5112   -3.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5112   -3.9160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2257   -2.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9402   -3.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9402   -3.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6547   -4.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3692   -3.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0837   -4.3284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3692   -3.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6547   -2.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  3  1  0  0  0  0\n  8  9  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\n  9 14  1  0  0  0  0\n 14 15  1  1  0  0  0\n 13 16  1  6  0  0  0\n 12 17  1  1  0  0  0\n 11 18  1  6  0  0  0\n 18 19  1  0  0  0  0\n  9 20  1  1  0  0  0\n  7 21  1  0  0  0  0\n 22  4  1  0  0  0  0\n 22 23  2  0  0  0  0\n 24 22  1  0  0  0  0\n  1 24  2  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  2  0  0  0  0\n 27 26  1  0  0  0  0\n 28 27  2  0  0  0  0\n 28 29  1  0  0  0  0\n 30 28  1  0  0  0  0\n 31 30  2  0  0  0  0\n 25 31  1  0  0  0  0\nM  END",
        "smiles": "c1cc(ccc1-c2coc3c(ccc(c3[C@@]4([H])[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)O)c2=O)O",
        "formula": "C21H20O9",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 5,
        "ez_centers": 0,
        "molecular_weight": "416.3789",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "e3da7ec1-d494-4256-bbc4-a1ff6ca6fea2",
          "28aef844-af2b-4c00-adbf-dffd8503afed"
        ],
        "stereo_centers": 5
      },
      "unii": "Z9W8997416"
    }
  ]
}