Molecule Editor

Molecule ID: FYI-1016207 Edit

Molecule Structure InChIKey: GUQGLYDIWWSMQU-UHFFFAOYSA-M

Molecule Structure SMILES String: O=C([O-])C1=CC(O)CC(=O)C(O)=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016207
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    5.8716    5.0883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9195    4.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5816    4.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3202    2.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3466    1.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7309    1.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309    2.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5195    0.3896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9339    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6861    0.0000 O   0  5  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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016207-3D
FYIcenter.com

 20 20  0  0  1  0  0  0  0  0999 V2000
    1.1153    0.1622    0.1847 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3317   -0.1635    0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9996   -1.0274    0.6890 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1222    0.6292   -1.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6169    1.8061   -1.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0903    2.7846   -2.4941 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0050    2.9785   -3.4157 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3119    2.4689   -3.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4840    1.9203   -2.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5747    2.4955   -2.5269 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4141    0.5098   -2.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5685   -0.2453   -2.2566 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3389   -0.0231   -1.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6990    2.1350   -0.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2473    3.7438   -1.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5387    2.1235   -3.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6403    3.3896   -3.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0753    1.7767   -4.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2680    0.4155   -2.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4180   -1.0726   -1.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
$$$$