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        "molfile": "\n  Marvin  01132111542D          \n\n 25 27  0  0  1  0            999 V2000\n    4.0388   -5.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0388   -6.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7522   -6.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4662   -6.5780    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    6.1716   -6.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8853   -6.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8853   -5.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1855   -5.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1855   -4.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8935   -4.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6091   -4.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6091   -5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3289   -4.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0423   -4.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3289   -3.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8935   -3.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9191   -3.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4662   -5.7530    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    4.7522   -5.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0648   -4.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4120   -4.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4363   -4.7772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4662   -7.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7522   -7.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0287   -7.3980    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  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  8  7  2  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  2  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  2  0  0  0  0\n  7 12  1  0  0  0  0\n 11 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 13 15  1  0  0  0  0\n 10 16  1  0  0  0  0\n  9 17  1  0  0  0  0\n 18  8  1  0  0  0  0\n 18 19  1  0  0  0  0\n  1 19  1  0  0  0  0\n 18  4  1  0  0  0  0\n 18 20  1  1  0  0  0\n 20 21  2  0  0  0  0\n 20 22  1  0  0  0  0\n  4 23  1  6  0  0  0\n  3 24  1  0  0  0  0\n  3 25  1  0  0  0  0\nM  END",
        "smiles": "CC(C)c1cc2CC[C@@]3([H])C(C)(C)CCC[C@@]3(c2c(c1O)O)C(=O)O",
        "formula": "C20H28O4",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 2,
        "ez_centers": 0,
        "molecular_weight": "332.4347",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "e85c5c9e-854e-4407-b54e-dcb8d9f6532f",
          "ae7319c2-867c-4876-91c5-3f078081fecb"
        ],
        "stereo_centers": 2
      },
      "unii": "LI791SXT24"
    }
  ]
}