EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:224983 - Chlorogentisylquinone

ChEBI IDCHEBI:224983
ChEBI NameChlorogentisylquinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H5ClO3
Net Charge0
Average Mass172.567
Monoisotopic Mass171.99272
SMILESO=C1C=C(Cl)C(=O)C(CO)=C1
InChIInChI=1S/C7H5ClO3/c8-6-2-5(10)1-4(3-9)7(6)11/h1-2,9H,3H2
InChIKeyAGIRBSHCJNCQAK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Chlorogentisylquinone (CHEBI:224983) is a p-quinones (CHEBI:25830)
Chlorogentisylquinone (CHEBI:224983) is a benzoquinones (CHEBI:22729)
IUPAC Name 
2-chloro-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
7969740ChemSpider