EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:18135 - catechol

ChEBI IDCHEBI:18135
ChEBI Namecatechol
Stars
DefinitionA benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other.
Secondary ChEBI IDsCHEBI:3467, CHEBI:13950, CHEBI:23054, CHEBI:41441, CHEBI:135158
Last Modified7 October 2016
DownloadsMolfile

FormulaC6H6O2
Net Charge0
Average Mass110.112
Monoisotopic Mass110.03678
SMILESOc1ccccc1O
InChIInChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChIKeyYCIMNLLNPGFGHC-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
benzene-1,2-diol
Synonyms  Source
CatecholKEGG COMPOUND
1,2-BenzenediolKEGG COMPOUND
o-BenzenediolKEGG COMPOUND
1,2-DihydroxybenzeneKEGG COMPOUND
BrenzcatechinKEGG COMPOUND
PyrocatecholKEGG COMPOUND
UniProt Name  Source
catecholUniProt
Manual XrefsDatabases
C00090KEGG COMPOUND
C00090KEGG COMPOUND
c0097UM-BBD
CAQPDBeChem
CatecholWikipedia
DB02232DrugBank
CATECHOLMetaCyc
HMDB0000957HMDB
C00002644KNApSAcK
C01785KEGG COMPOUND
C15571KEGG COMPOUND
Registry NumbersSources
Gmelin:2936Gmelin
Reaxys:471401Reaxys
CAS:120-80-9KEGG COMPOUND
CAS:120-80-9ChemIDplus
CAS:120-80-9NIST Chemistry WebBook
CAS:12385-08-9KEGG COMPOUND
Citations