Molecule Editor

Molecule ID: FYI-1010450 Edit

Molecule Structure InChIKey: PETDNGRBYPTDNI-QSNWBFGMSA-N

Molecule Structure SMILES String: COc4cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]1[C@@H](O)C(C)(C)C[C@@]1(O)C=C(C=O)[C@]23O)c(O)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1010450
FYIcenter.com

 32 35  0  0  1  0  0  0  0  0999 V2000
    7.1690    9.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3815    8.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5939    9.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8064    8.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5939    6.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9943    3.3626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0295    4.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5939    5.4149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0188    9.6149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2312    8.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
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  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
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  9  8  2  0  0  0  0
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 30  6  1  0  0  0  0
 31  4  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010450-3D
FYIcenter.com

 62 65  0     1  0  0  0  0  0999 V2000
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M  END
$$$$