ChEBI
  Marvin  09130511022D          

  9  9  0  0  0  0            999 V2000
    7.0410   -3.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0410   -3.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4699   -3.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555   -2.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555   -1.7906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555   -4.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555   -5.0906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4699   -3.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1844   -2.6156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  8  1  0  0  0  0
  1  2  2  0  0  0  0
  2  6  1  0  0  0  0
  6  3  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <ID>
CHEBI:18400

> <NAME>
2-hydroxy-1,4-benzoquinone

> <DEFINITION>
The simplest member of the class of 2-hydroxy-1,4-benzoquinones, that is 1,4-benzoquinone in which a single hydrogen is replaced by a hydroxy group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1112; CHEBI:14419; CHEBI:19592

> <SYNONYM>
Hydroxybenzoquinone; 2-hydroxycyclohexa-2,5-diene-1,4-dione; 2-Hydroxy-p-benzoquinone; 2-Hydroxy-1,4-benzoquinone

> <IUPAC_NAME>
2-hydroxy-1,4-benzoquinone

> <FORMULA>
C6H4O3

> <MASS>
124.09416

> <MONOISOTOPIC_MASS>
124.01604

> <CHARGE>
0

> <SMILES>
OC1=CC(=O)C=CC1=O

> <INCHI>
InChI=1S/C6H4O3/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

> <INCHIKEY>
GPLIMIJPIZGPIF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2474-72-8

> <REAXYS_REGISTRY_NUMBER>
1929846

> <CHEMIDPLUS>
2474-72-8

> <KEGG_COMPOUND_ACCESSION>
C07103

> <WIKIPEDIA_ACCESSION>
Hydroxy-1,4-benzoquinone

> <PUBMED_CITATION>
1899343; 2801212

$$$$