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        "molfile": "\n  Marvin  01132109192D          \n\n 33 36  0  0  1  0            999 V2000\n   12.4211   -7.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1332   -7.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1332   -6.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4211   -5.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7042   -6.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7042   -7.0877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9873   -5.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9873   -5.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7042   -4.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4211   -5.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1332   -4.6129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2751   -4.6129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8455   -5.8527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8455   -7.5025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4211   -8.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1332   -8.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1332   -9.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4211   -9.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7042   -9.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7042   -8.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4211  -10.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7042  -11.2125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   11.7042  -12.0374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   12.4211  -12.4523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9873  -12.4523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   10.9873  -13.2772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2751  -12.0374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    9.5583  -12.4523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2751  -11.2125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   10.9873  -10.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5583  -10.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8460  -11.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8455   -9.9774    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  1  6  1  0  0  0  0\n  5  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n  4 10  2  0  0  0  0\n 10 11  1  0  0  0  0\n  8 12  1  0  0  0  0\n  3 13  2  0  0  0  0\n  2 14  1  0  0  0  0\n  1 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  2  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  2  0  0  0  0\n 19 20  1  0  0  0  0\n 15 20  2  0  0  0  0\n 18 21  1  0  0  0  0\n 22 21  1  1  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  6  0  0  0\n 23 25  1  0  0  0  0\n 25 26  1  1  0  0  0\n 25 27  1  0  0  0  0\n 27 28  1  6  0  0  0\n 27 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 22 30  1  0  0  0  0\n 29 31  1  1  0  0  0\n 31 32  1  0  0  0  0\n 17 33  1  0  0  0  0\nM  END",
        "smiles": "c1cc(c(cc1-c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)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": [
          "922d3f81-97e9-461a-9a42-f7def4bd943f",
          "d3ec5db7-bf1d-432d-ad62-588a5a685b8f"
        ],
        "stereo_centers": 5
      },
      "unii": "K2B74751XI"
    }
  ]
}