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        "molfile": "\n  Marvin  01132103552D          \n\n 33 36  0  0  1  0            999 V2000\n   20.3827  -21.6915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9565  -23.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.6677  -22.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.6677  -22.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9603  -20.8638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9603  -21.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.2378  -22.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.2378  -22.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3788  -25.3853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8125  -25.2202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8125  -24.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0975  -24.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3788  -24.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6713  -24.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9565  -22.9074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6713  -23.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3863  -22.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0975  -23.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8163  -22.9227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5273  -23.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5273  -24.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.6387  -24.7216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.2196  -25.7378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.3696  -27.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.8604  -28.0691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   20.2878  -27.9402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   20.2125  -27.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.3917  -25.9472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   19.4668  -26.7711    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   18.7889  -27.2449    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   18.0438  -26.9035    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   17.9685  -26.0796    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   18.6387  -25.6064    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n  1  4  1  0  0  0  0\n  2  8  2  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  2  0  0  0  0\n  6  4  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8 20  1  0  0  0  0\n  9 13  1  0  0  0  0\n 12 18  1  0  0  0  0\n 10 11  2  0  0  0  0\n 11 21  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 12  2  0  0  0  0\n 14 13  1  0  0  0  0\n 14 16  2  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  2  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  2  0  0  0  0\n 22 21  1  0  0  0  0\n 33 22  1  6  0  0  0\n 32 23  1  1  0  0  0\n 31 24  1  6  0  0  0\n 30 25  1  1  0  0  0\n 26 27  1  0  0  0  0\n 29 27  1  6  0  0  0\n 28 33  1  0  0  0  0\n 29 28  1  0  0  0  0\n 30 29  1  0  0  0  0\n 31 30  1  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  1  0  0  0  0\nM  END",
        "smiles": "c1cc(c(cc1-c2c(c(=O)c3c(cc(cc3o2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)O)O",
        "formula": "C21H20O12",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 5,
        "ez_centers": 0,
        "molecular_weight": "464.3771",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "7c6c4dce-5fb7-411c-a926-b024c6df4e0a",
          "eecce8bb-f688-4884-9256-62edb663991c"
        ],
        "stereo_centers": 5
      },
      "unii": "6HN2PC637T"
    }
  ]
}