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        "molfile": "\n  Marvin  01132110412D          \n\n 39 44  0  0  1  0            999 V2000\n    3.6226    1.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2272    0.8481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    4.9625    0.4242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6934    0.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6953    1.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9600    2.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2227    1.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7624   -2.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7624   -2.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0591   -3.2753    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   -0.0591   -1.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6485   -2.0527    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    0.6451   -2.8692    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    1.3466   -3.2782    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    2.0561   -2.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3537   -1.6451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    2.0610   -2.0623    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    2.0744   -0.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3572   -0.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7819   -0.8399    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    2.7698   -1.6647    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    4.1940   -1.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2059   -0.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4976   -0.4332    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    3.4961    0.4305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    2.8086    1.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6777    0.6725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9535    2.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4287    2.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7916    0.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0527   -1.2091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6406   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0677   -4.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6406   -3.7173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0677   -0.7895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4287    0.4242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9821   -2.4857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3489   -2.4948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2317   -0.0045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n 20 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 20 21  1  0  0  0  0\n  8 11  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 13  1  0  0  0  0\n 12 11  1  0  0  0  0\n 12 13  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 20  1  0  0  0  0\n 21 22  1  0  0  0  0\n  4  5  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25  2  1  0  0  0  0\n  5  6  2  0  0  0  0\n 25 26  1  0  0  0  0\n  6  7  1  0  0  0  0\n 25 27  1  1  0  0  0\n  8  9  2  0  0  0  0\n  6 28  1  0  0  0  0\n 12 16  1  0  0  0  0\n  5 29  1  0  0  0  0\n 13 14  1  0  0  0  0\n 20 30  1  1  0  0  0\n 14 15  1  0  0  0  0\n 17 31  1  1  0  0  0\n 15 17  1  0  0  0  0\n 12 32  1  1  0  0  0\n 16 17  1  0  0  0  0\n 10 33  1  1  0  0  0\n 13 34  1  1  0  0  0\n 14 34  1  1  0  0  0\n  2  3  1  0  0  0  0\n 11 35  2  0  0  0  0\n  2  7  1  0  0  0  0\n  4 36  2  0  0  0  0\n  3  4  1  0  0  0  0\n 21 37  1  6  0  0  0\n 16 19  1  0  0  0  0\n 16 38  1  6  0  0  0\n 17 21  1  0  0  0  0\n 24 39  1  6  0  0  0\n  2  1  1  6  0  0  0\nM  END",
        "smiles": "CC1=C(C)C(=O)O[C@]([H])(C1)[C@@](C)([C@@]2([H])CC[C@@]3([H])[C@]4([H])C[C@@H]5[C@@]6([C@H](C=CC(=O)[C@]6(C)[C@@]4([H])CC[C@@]32C)O)O5)O",
        "formula": "C28H38O6",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 11,
        "ez_centers": 0,
        "molecular_weight": "470.5988",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "360b8b01-413c-4a04-b1b1-163c6366351d"
        ],
        "stereo_centers": 11
      },
      "unii": "XY366XV8JT"
    }
  ]
}