Molecule Editor

Molecule ID: FYI-1016788 Edit

Molecule Structure InChIKey: XRVRDPNSHHLLMV-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(CO)C(=O)OCC(O)COc2ccc(C(C)(C)c1ccc(OCC(O)COC(=O)C(C)CO)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016788
FYIcenter.com

 39 40  0  0  0  0  0  0  0  0999 V2000
   14.7368   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995   15.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   15.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746   16.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368   17.5000    0.0000 O   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  2  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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
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 36 28  1  0  0  0  0
 37  8  1  0  0  0  0
 34 38  1  0  0  0  0
  3 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016788-3D
FYIcenter.com

 79 80  0  0  1  0  0  0  0  0999 V2000
    2.8473   -2.4109    4.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6166    1.2127    2.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6151    1.2097    1.2502 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9047    1.3825    5.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6660    1.7344    6.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4367    2.9280    7.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7515    2.7685    8.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4921    4.8891    8.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7002    2.8303    9.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5440    1.4481   10.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0304    0.9390   11.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$