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          "molfile": "\n  Marvin  01132110082D          \n\n 33 36  0  0  1  0            999 V2000\n   14.4839  -11.0788    0.0000 C   0  0  2  0  0  0  0  0  0  2  0  0\n   15.3688  -11.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4839  -10.0587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6187   -9.5487    0.0000 C   0  0  1  0  0  0  0  0  0  2  0  0\n   13.6187   -8.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9139   -7.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9139   -6.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1987   -6.5737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4837   -6.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7737   -6.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0537   -6.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2536   -6.4837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0537   -7.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7737   -8.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7737   -9.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4837   -7.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1987   -8.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1987   -8.8237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6188   -6.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6188   -5.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3638   -5.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3638   -4.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0689   -5.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8989   -5.1935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0689   -6.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7940   -6.9887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3338   -6.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7187  -10.0537    0.0000 C   0  0  2  0  0  0  0  0  0  1  0  0\n   11.8987   -9.6987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7187  -11.0637    0.0000 C   0  0  2  0  0  0  0  0  0  1  0  0\n   11.9288  -11.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5988  -11.5788    0.0000 C   0  0  1  0  0  0  0  0  0  1  0  0\n   13.5988  -12.5989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  1  0  0  0\n  1  3  1  0  0  0  0\n 32  1  1  0  0  0  0\n  4  3  1  0  0  0  0\n  4  5  1  6  0  0  0\n 28  4  1  0  0  0  0\n  5  6  1  0  0  0  0\n  7  6  2  0  0  0  0\n 17  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n 19  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n  9 16  2  0  0  0  0\n 11 10  2  0  0  0  0\n 12 11  1  0  0  0  0\n 13 11  1  0  0  0  0\n 13 14  2  0  0  0  0\n 15 14  1  0  0  0  0\n 14 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 18 17  2  0  0  0  0\n 20 19  1  0  0  0  0\n 27 19  2  0  0  0  0\n 21 20  2  0  0  0  0\n 22 21  1  0  0  0  0\n 23 21  1  0  0  0  0\n 24 23  1  0  0  0  0\n 23 25  2  0  0  0  0\n 26 25  1  0  0  0  0\n 25 27  1  0  0  0  0\n 28 29  1  1  0  0  0\n 30 28  1  0  0  0  0\n 30 31  1  1  0  0  0\n 32 30  1  0  0  0  0\n 32 33  1  6  0  0  0\nM  END",
          "smiles": "C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)Oc2c(=O)c3c(cc(cc3oc2-c4cc(c(c(c4)O)O)O)O)O)O)O)O",
          "formula": "C21H20O12",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ABSOLUTE",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "cf9db800-51c6-4fde-8631-bee5f0b98642"
          },
          "defined_stereo": 5,
          "ez_centers": 0,
          "molecular_weight": "464.3771",
          "optical_activity": "UNSPECIFIED",
          "stereo_centers": 5
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "3f2546a3-800d-44ed-858d-2768e6b8aacd",
      "version": "11",
      "structure": {
        "id": "719e3197-6e82-45c4-8c9c-302a31ae2649",
        "molfile": "\n  Marvin  01132105532D          \n\n 33 36  0  0  1  0            999 V2000\n   12.9139   -7.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9139   -6.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1987   -6.5737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4837   -6.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4837   -7.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1987   -8.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1987   -8.8237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7737   -8.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0537   -7.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0537   -6.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7737   -6.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2536   -6.4837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7737   -9.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6188   -6.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6188   -5.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3638   -5.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3638   -4.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0689   -5.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0689   -6.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3338   -6.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7940   -6.9887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8989   -5.1935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6187   -8.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6187   -9.5487    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   12.7187  -10.0537    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   12.7187  -11.0637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   11.9288  -11.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5988  -11.5788    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   14.4839  -11.0788    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   14.4839  -10.0587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3688  -11.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5988  -12.5989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8987   -9.6987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  4  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  1  1  0  0  0  0\n  7  6  2  0  0  0  0\n  8  5  1  0  0  0  0\n  9  8  2  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n 11  4  1  0  0  0  0\n 12 10  1  0  0  0  0\n 13  8  1  0  0  0  0\n 14  2  1  0  0  0  0\n 15 14  2  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 18 16  2  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  2  0  0  0  0\n 20 14  1  0  0  0  0\n 21 19  1  0  0  0  0\n 22 18  1  0  0  0  0\n 23  1  1  0  0  0  0\n 24 23  1  6  0  0  0\n 25 24  1  0  0  0  0\n 26 25  1  0  0  0  0\n 26 27  1  1  0  0  0\n 28 26  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 24  1  0  0  0  0\n 29 31  1  1  0  0  0\n 28 32  1  6  0  0  0\n 25 33  1  1  0  0  0\nM  END",
        "smiles": "C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)Oc2c(=O)c3c(cc(cc3oc2-c4cc(c(c(c4)O)O)O)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": [
          "43726a51-47b2-40ed-b1aa-b42136909931",
          "e70e6af5-9571-40f1-ac7a-1f906fb9bbeb"
        ],
        "stereo_centers": 5
      },
      "unii": "5Z0ZO61WPJ"
    }
  ]
}