Molecule Editor

Molecule ID: FYI-1015765 Edit

Molecule Structure InChIKey: GZYXCXRHVALIJD-WOJBJXKFSA-N

Molecule Structure SMILES String: CC1=CC[C@@H]4[C@@H](C1)c3c(O)cc(C(C)(C)c2ccccc2)cc3OC4(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015765
FYIcenter.com

 27 30  0  0  1  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    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
  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
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  1  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
  9 15  1  6  0  0  0
 16  4  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
 27 17  2  0  0  0  0
 27  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015765-3D
FYIcenter.com

 57 60  0     1  0  0  0  0  0999 V2000
   -1.4421   -2.1508    0.3647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5129    2.5753   -0.3614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4224   -0.7393    0.0325 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5607    0.4751   -0.3697 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7089   -2.0686   -0.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8404   -0.5905   -0.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1903    1.7640    0.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1215    0.2560    0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6623   -1.0255    0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6874    1.8445    0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4593   -2.2858   -1.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5153   -3.2685    0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4179    0.7780   -0.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1995    1.3158    0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6654   -1.2268    0.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586   -0.1594    0.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9745   -0.3808    1.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1279    1.1111    0.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3145    3.1842    0.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9909    0.0083    0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2397    0.4155    2.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3505   -1.8635    1.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8939   -0.6527   -1.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976    0.9798    0.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7994   -0.3058   -2.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8031    1.3267   -0.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7539    0.6838   -1.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5134   -0.7155    1.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5639    0.5640   -1.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5075   -1.3183   -0.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8513   -0.7947   -1.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7749    2.6400   -0.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9584    1.8598    1.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8438   -1.4927   -2.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9034   -3.2169   -1.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1015    1.4969    2.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5304    0.0995    3.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2436    0.2335    2.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1826   -2.5675    0.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4101   -1.9427    1.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5461    2.0981   -0.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4585    0.9545   -2.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2 14  1  0  0  0  0
  2 52  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 28  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 29  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 10  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
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 14 18  1  0  0  0  0
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 20 23  2  0  0  0  0
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 27 57  1  0  0  0  0
M  END
$$$$