Molecule Editor

Molecule ID: FYI-1004198 Edit

Molecule Structure InChIKey: JSRSLTCFTYHIRT-UHFFFAOYSA-N

Molecule Structure SMILES String: c5ccc(COC3C1COC(O1)C(OCc2ccccc2)C3OCc4ccccc4)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004198
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
    6.3780   10.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9813    8.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9422    6.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    6.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3184    6.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2012    8.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7499   10.0732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1080    7.9476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5345    6.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5918    4.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8079    4.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8653    2.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0814    2.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2400    2.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1826    4.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667    5.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8831    0.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0856    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2594    0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2307    2.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7538    6.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5653    6.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3769    6.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1885    6.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1885    4.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3769    4.8014    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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17  4  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  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
 24 19  1  0  0  0  0
 25  3  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004198-3D
FYIcenter.com

 60 64  0     1  0  0  0  0  0999 V2000
   -1.9557   -0.6094    2.6533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4568   -1.1117    4.3464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0924   -1.6399    0.1896 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5512   -1.1269    0.6436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828    1.0019    1.3919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5407   -2.1102    1.4207 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6233   -1.9982    2.5122 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7036   -1.2795    1.7728 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3309    0.0779    2.3933 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8250   -0.1107    3.3856 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1373   -2.3062    3.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8756   -0.7808    1.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0104    2.3421    1.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4486   -2.0887   -1.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7196   -0.6341   -0.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4366    3.2676    0.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4006   -1.7376   -0.7193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8228    0.6055   -0.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4898    3.7597   -0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$