Molecule Editor

Molecule ID: FYI-1002463 Edit

Molecule Structure InChIKey: LSKSXWZFRKMWNC-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3cc(C(C1C(=O)CC(C)(C)CC1=O)C2C(=O)CC(C)(C)CC2=O)ccc3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002463
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
   10.6228    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9078    1.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9078    2.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6693    3.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7021    4.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4309    2.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4309    1.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1923    0.5234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6693    0.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1923    3.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1923    4.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4309    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2442    5.1106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7155    4.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9539    2.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7155    3.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4769    2.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7155    0.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9539    1.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2384    0.5234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2384    3.3836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3378    1.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
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 17 11  1  0  0  0  0
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 19 15  1  0  0  0  0
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 21 10  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
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 27 24  1  0  0  0  0
 28 23  1  0  0  0  0
 29 28  1  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002463-3D
FYIcenter.com

 60 62  0     0  0  0  0  0  0999 V2000
    2.0207   -2.0948    1.4005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7016    2.3817    0.5687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1136    0.9063   -2.4662 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2746    2.3719    1.8200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9396   -2.9977   -1.4185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2498   -3.6172    1.2727 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6184    0.1634   -0.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8327    0.1489    0.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230    1.5603   -0.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5281   -0.4786   -0.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4353   -1.2410    0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$