Molecule Editor

Molecule ID: FYI-1004889 Edit

Molecule Structure InChIKey: PVMGKOCTYGNUPK-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3cc2C/C(=N/c1cc(OC)c(O)c(OC)c1)Nc2cc3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004889
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.9279    6.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7154    6.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7154    8.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9279    9.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1403    8.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1403    6.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9280   10.4088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3527    9.0088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5030    9.0087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9280    4.8088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7156    4.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4366    4.6780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4999    3.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5694    2.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0999    3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5001    1.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5029   10.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5652    8.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
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  5  8  1  0  0  0  0
  3  9  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 13 16  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
  9 23  1  0  0  0  0
  8 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004889-3D
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$