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        "molfile": "\n  Marvin  01132106102D          \n\n 39 42  0  0  1  0            999 V2000\n    9.5685   -9.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0826  -10.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4918   -9.7345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7493   -8.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7440   -8.1233    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   10.0308   -7.7061    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    9.3189   -8.1229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    9.3115   -7.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6050   -7.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8910   -8.1229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    7.8910   -8.9501    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    7.1753   -9.3647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6050   -9.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3195   -8.9775    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.7392   -9.7773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1735   -7.7114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0259   -8.5281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0316   -6.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7518   -6.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4650   -6.8910    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   11.4588   -6.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4543   -7.7132    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   12.8738   -7.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8844   -6.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1777   -6.4845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   12.8876   -6.0633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1690   -5.6580    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   11.4483   -5.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8810   -5.2369    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   13.5978   -5.6414    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   14.3080   -5.2236    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   15.0266   -5.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7387   -5.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0349   -6.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3004   -4.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6053   -6.4685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8725   -4.4098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4504   -8.5323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7360   -7.2999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n  7  8  1  1  0  0  0\n  7  9  1  0  0  0  0\n 10  9  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  6  0  0  0\n 11 13  1  0  0  0  0\n 14  1  1  0  0  0  0\n 13 14  1  0  0  0  0\n  7 14  1  0  0  0  0\n 14 15  1  6  0  0  0\n 10 16  1  6  0  0  0\n  6 17  1  6  0  0  0\n  6 18  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  1  0  0  0  0\n 20 21  1  1  0  0  0\n  5 22  1  0  0  0  0\n 20 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 20  1  0  0  0  0\n 25 26  1  6  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 30 31  1  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n 32 34  1  0  0  0  0\n 31 35  1  1  0  0  0\n 30 36  1  1  0  0  0\n 29 37  1  1  0  0  0\n 22 38  1  6  0  0  0\n  5 39  1  1  0  0  0\nM  END",
        "smiles": "CC(C)[C@H](C)[C@H]([C@@H]([C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])COC(=O)[C@@]4([H])C[C@@H]([C@@H](C[C@]4(C)[C@@]3([H])CC[C@]12C)O)O)O)O",
        "formula": "C28H48O6",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 13,
        "ez_centers": 0,
        "molecular_weight": "480.6782",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "337a58dc-2133-4cd3-86e8-ccd922c86ef1",
          "bf776a2d-d226-481f-bfc5-b16d5bbc9a47"
        ],
        "stereo_centers": 13
      },
      "unii": "Y9IQ1L53OX"
    }
  ]
}