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      "structure": {
        "id": "07eda799-977d-4565-aac9-24df4d48459c",
        "molfile": "\n  Marvin  01132100412D          \n\n 47 46  0  0  1  0            999 V2000\n    9.3432   -6.1006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0674   -5.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7699   -6.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0674   -4.8818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3062   -9.2201    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   11.0222   -8.8075    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   11.7335  -10.0451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   11.0222  -10.4577    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   10.3062  -10.0451    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   13.1656  -10.0451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   13.7781   -9.4912    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   14.4939   -9.9039    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   14.3217  -10.7135    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    9.5903   -8.8075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0222   -7.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7335   -7.5701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7335   -9.2201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5903  -10.4577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0222  -11.2827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4495  -10.4577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5016  -10.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8755  -11.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.6805  -11.1536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2489   -9.5723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2552   -8.7014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6817   -9.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0178   -8.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1284  -13.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4249  -13.3171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1284  -14.5754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8516  -13.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5598  -13.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2831  -13.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9865  -13.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7145  -13.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4180  -13.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1413  -13.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8492  -13.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5726  -13.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.2760  -13.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.0040  -13.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.7074  -13.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.4308  -13.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9793  -13.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.7073  -13.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.4108  -14.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.1341  -13.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  2  0  0  0  0\n  5  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n  5  9  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n  5 14  1  6  0  0  0\n  6 15  1  1  0  0  0\n 15 16  1  0  0  0  0\n 17  6  1  0  0  0  0\n  7 17  1  0  0  0  0\n  9 18  1  1  0  0  0\n  8 19  1  6  0  0  0\n  7 20  1  6  0  0  0\n 20 10  1  0  0  0  0\n 13 21  1  0  0  0  0\n 10 21  1  0  0  0  0\n 13 22  1  1  0  0  0\n 22 23  1  0  0  0  0\n 12 24  1  6  0  0  0\n 11 25  1  1  0  0  0\n 10 26  1  6  0  0  0\n 26 27  1  0  0  0  0\n 28 29  2  0  0  0  0\n 28 30  1  0  0  0  0\n 28 31  1  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 35 36  1  0  0  0  0\n 36 37  1  0  0  0  0\n 37 38  1  0  0  0  0\n 38 39  1  0  0  0  0\n 39 40  1  0  0  0  0\n 40 41  1  0  0  0  0\n 41 42  1  0  0  0  0\n 42 43  1  0  0  0  0\n 43 44  1  0  0  0  0\n 44 45  1  0  0  0  0\n 45 46  1  0  0  0  0\n 46 47  1  0  0  0  0\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15  28  29  30  31  32  33  34  35  36  37  38  39  40  41  42\nM  SAL   1  5  43  44  45  46  47\nM  SPA   1 15  28  29  30  31  32  33  34  35  36  37  38  39  40  41  42\nM  SPA   1  5  43  44  45  46  47\nM  SDI   1  4    8.0049  -14.9954    8.0049  -12.8971\nM  SDI   1  4   21.5541  -12.8971   21.5541  -14.9954\nM  SMT   1 1\nM  END",
        "smiles": "CCCCCCCCCCCCCCCCCC(=O)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2(CO)[C@H]([C@@H]([C@@H](CO)O2)O)O)O)O)O)O.CC(=O)O",
        "formula": "C18H36O2.C12H22O11.C2H4O2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 9,
        "ez_centers": 0,
        "molecular_weight": "686.8269",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "fe87049f-643e-4e3a-88e6-20e500fe1e25",
          "356469ad-8365-486f-8700-dd274aa3ad4d"
        ],
        "stereo_centers": 9
      },
      "unii": "XLW9XG1719"
    }
  ]
}