Terminology Service for NFDI4Health
catechol
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http://purl.obolibrary.org/obo/CHEBI_18135
A benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other.
Term info
Label
catechol
Synonyms
- catechol
Subsets
3_STAR
charge
0
database cross reference
PDBeChem:CAQ, KEGG:C01785, Wikipedia:Catechol, PMID:10651166, HMDB:HMDB0000957, CAS:120-80-9, KEGG:C15571, KNApSAcK:C00002644, Gmelin:2936, PMID:16610220, PMID:11470755, UM-BBD_compID:c0097, Beilstein:471401, CAS:12385-08-9, KEGG:C00090, MetaCyc:CATECHOL, Reaxys:471401, PMID:15951152, DrugBank:DB02232
formula
C6H6O2
has alternative id
CHEBI:135158, CHEBI:23054, CHEBI:13950, CHEBI:41441, CHEBI:3467
has exact synonym
benzene-1,2-diol, catechol, Catechol
has obo namespace
chebi_ontology
has related synonym
Brenzcatechin, 2-hydroxyphenol, 1,2-Benzenediol, o-Benzenediol, Pyrocatechol, 1,2-Dihydroxybenzene, alpha-hydroxyphenol, pyrocatechin, o-hydroxyphenol
id
CHEBI:18135
imported from
http://purl.obolibrary.org/obo/cdno.owl
inchi
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
inchikey
YCIMNLLNPGFGHC-UHFFFAOYSA-N
mass
110.11064
monoisotopicmass
110.03678
smiles
Oc1ccccc1O