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        "molfile": "\n  Marvin  01132109112D          \n\n 32 36  0  0  1  0            999 V2000\n    6.7431   -1.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2317    1.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9665   -1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9457   -0.0335    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    5.9457    1.1482    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    6.7348   -0.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4780   -0.7057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5177    1.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8038    1.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2317    2.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6680    1.5615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4613   -1.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8038    2.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5177    2.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4404    0.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0146    1.3068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0146    2.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7160   -2.1670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1669   -1.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9457    2.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5344    1.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6680    2.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1628   -0.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5177    0.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4739   -2.3298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8934   -1.4906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3862    1.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8038   -0.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1878   -2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9101   -2.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6597    0.7348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2275    0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  2  5  1  0  0  0  0\n  3  1  1  0  0  0  0\n  4  6  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  1  2  0  0  0  0\n  7  3  1  0  0  0  0\n  8  2  2  0  0  0  0\n  9  8  1  0  0  0  0\n 10  2  1  0  0  0  0\n 11  5  1  0  0  0  0\n 12  1  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 10  2  0  0  0  0\n 15  6  1  0  0  0  0\n 16  9  1  0  0  0  0\n 17 13  1  0  0  0  0\n 18  3  2  0  0  0  0\n 19 12  2  0  0  0  0\n 20 22  1  0  0  0  0\n 21 16  1  0  0  0  0\n 22 11  1  0  0  0  0\n 23 19  1  0  0  0  0\n 24  8  1  0  0  0  0\n 25 12  1  0  0  0  0\n 26 19  1  0  0  0  0\n 27 11  1  0  0  0  0\n 28 24  1  0  0  0  0\n 29 25  1  0  0  0  0\n 30 26  1  0  0  0  0\n  5 31  1  6  0  0  0\n  4 32  1  1  0  0  0\n  4  7  1  0  0  0  0\n 15 23  2  0  0  0  0\n 10 20  1  0  0  0  0\n  9 13  2  0  0  0  0\n 17 21  1  0  0  0  0\nM  END",
        "smiles": "CN1CCc2cc3c(c(c2[C@]1([H])[C@]4([H])c5ccc(c(c5C(=O)O4)OC)OC)OC)OCO3",
        "formula": "C22H23NO7",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 2,
        "ez_centers": 0,
        "molecular_weight": "413.4214",
        "optical_activity": "( - )",
        "references": [
          "6e1551c5-5dbf-4aa7-9da5-89c265cc3913",
          "e5cb65d4-5539-47ba-aed1-7d65a2a47467",
          "39e77307-24b7-4b59-8b82-9b37fd4e56df"
        ],
        "stereo_centers": 2
      },
      "unii": "8V32U4AOQU"
    }
  ]
}