Molecule Editor

Molecule ID: FYI-1000225 Edit

Molecule Structure SMILES String: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000225
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    8.8861    2.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6738    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5274    3.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2485    4.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159    3.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2622    1.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8063    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1378    1.7641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    1.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    1.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    3.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8368    3.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    5.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    5.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    5.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    3.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
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 15  5  1  0  0  0  0
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 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000225-3D
FYIcenter.com

 45 48  0  0  1  0  0  0  0  0999 V2000
    0.7507   -0.3110    1.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0177   -0.3579    0.2122 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4449   -0.4601   -1.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9148   -1.5806   -2.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4136   -2.8459   -1.4588 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5187   -2.4814   -0.4596 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9501   -1.5326    0.6366 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0428   -0.9021    1.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2588    0.5002    0.9578 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8656    0.9423    0.4805 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3019    1.7584    1.5197 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2281    0.5079   -0.0766 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2617   -3.9051   -2.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9063   -3.8504   -2.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$