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0\n    4.6191   -3.3892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7117   -4.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9260   -5.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5008   -4.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2528   -5.3692    0.0000 H   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  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n  3  8  1  0  0  0  0\n  5  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 11 10  1  1  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  6  0  0  0\n 16 14  1  0  0  0  0\n 17 16  1  0  0  0  0\n 11 17  1  0  0  0  0\n 17 18  1  6  0  0  0\n 16 19  1  1  0  0  0\n 13 20  1  1  0  0  0\n 20 21  1  0  0  0  0\n  9 22  2  0  0  0  0\n  5 23  1  1  0  0  0\n 24  4  1  0  0  0  0\n 25 24  1  0  0  0  0\n  1 25  1  0  0  0  0\n  4 26  1  1  0  0  0\n  3 27  1  6  0  0  0\n  2 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 30 29  1  0  0  0  0\n 30 31  1  6  0  0  0\n  1 31  1  6  0  0  0\n 30 32  1  0  0  0  0\n 33 32  1  1  0  0  0\n 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 35 36  1  1  0  0  0\n 36 37  1  0  0  0  0\n 35 38  1  0  0  0  0\n 38 39  1  6  0  0  0\n 40 38  1  0  0  0  0\n 41 40  1  0  0  0  0\n 33 41  1  0  0  0  0\n 41 42  1  6  0  0  0\n 43 42  1  0  0  0  0\n 44 43  1  0  0  0  0\n 45 44  1  0  0  0  0\n 46 45  1  0  0  0  0\n 46 47  1  0  0  0  0\n 47 48  1  1  0  0  0\n 48 49  1  0  0  0  0\n 47 50  1  0  0  0  0\n 50 43  1  0  0  0  0\n 46 51  1  6  0  0  0\n 45 52  1  1  0  0  0\n 44 53  1  6  0  0  0\n 43 54  1  6  0  0  0\n 40 55  1  1  0  0  0\n 33 56  1  6  0  0  0\n 30 57  1  1  0  0  0\n 58 57  1  0  0  0  0\n  1 58  1  1  0  0  0\n 57 59  2  0  0  0  0\n  2 60  1  1  0  0  0\nM  END",
        "smiles": "C=C1C[C@]23CC[C@@]4([H])[C@@](C)(CCC[C@@]4(C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O)[C@]3([H])CC[C@@]1(C2)O[C@@]6([H])[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O)O)O[C@@]7([H])[C@@H]([C@H]([C@@H]([C@@H](CO)O7)O)O)O",
        "formula": "C38H60O18",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 21,
        "ez_centers": 0,
        "molecular_weight": "804.8737",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "bbaccc02-232c-4ef3-bd48-e8edb9b2effd",
          "288711f2-333c-48d3-bd23-ff565a07b7f9"
        ],
        "stereo_centers": 21
      },
      "unii": "0YON5MXJ9P"
    }
  ]
}