Marvin  09070714342D          

  8  8  0  0  0  0            999 V2000
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  7  2  2  0  0  0  0
  1  3  2  0  0  0  0
  4  2  1  0  0  0  0
  8  4  2  0  0  0  0
  5  4  1  0  0  0  0
  3  6  1  0  0  0  0
  6  5  2  0  0  0  0
M  END
> <ID>
CHEBI:17253

> <NAME>
1,2-benzoquinone

> <DEFINITION>
A benzoquinone resulting from the formal oxidation of catechol.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:484; CHEBI:11139; CHEBI:18863

> <SYNONYM>
ortho-benzoquinone; o-quinone; o-benzoquinone; cyclohexa-3,5-diene-1,2-dione; catechol quinone; 3,5-cyclohexadiene-1,2-dione; 2-benzoquinone; 1,2-Benzoquinone; 1,2-benzoquinone; 1,2-Benzoquinone

> <IUPAC_NAME>
cyclohexa-3,5-diene-1,2-dione

> <FORMULA>
C6H4O2

> <MASS>
108.09476

> <MONOISOTOPIC_MASS>
108.02113

> <CHARGE>
0

> <SMILES>
O=C1C=CC=CC1=O

> <INCHI>
InChI=1S/C6H4O2/c7-5-3-1-2-4-6(5)8/h1-4H

> <INCHIKEY>
WOAHJDHKFWSLKE-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2038185

> <CAS_REGISTRY_NUMBER>
583-63-1

> <GMELIN_REGISTRY_NUMBER>
26767

> <CHEMIDPLUS>
583-63-1

> <KEGG_COMPOUND_ACCESSION>
C02351

> <NIST_CHEMISTRY_WEBBOOK>
583-63-1

> <WIKIPEDIA_ACCESSION>
1,2-Benzoquinone

$$$$