CHEBI:39876 - 3-fluorocatechol

ChEBI IDCHEBI:39876
ChEBI Name3-fluorocatechol
Stars
DefinitionA catechol bearing an additional fluoro substituent at position 3.
Last Modified15 March 2024
DownloadsMolfile
FormulaC6H5FO2
Net Charge0
Average Mass128.102
Monoisotopic Mass128.02736
SMILESOc1cccc(F)c1O
InChIInChI=1S/C6H5FO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
InChIKeyDXOSJQLIRGXWCF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pisolithus tinctorius (ncbitaxon:37468) - PubMed (24997926)
Burkholderia fungorum (ncbitaxon:134537) - PubMed (22976426)
Roles Classification
Biological Roles:
fungal xenobiotic metabolite  Any fungal metabolite produced by metabolism of a xenobiotic compound in fungi.
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-fluorocatechol (CHEBI:39876) has role bacterial xenobiotic metabolite (CHEBI:76976)
3-fluorocatechol (CHEBI:39876) has role fungal xenobiotic metabolite (CHEBI:76968)
3-fluorocatechol (CHEBI:39876) is a catechols (CHEBI:33566)
3-fluorocatechol (CHEBI:39876) is a fluorophenol (CHEBI:142486)
3-fluorocatechol (CHEBI:39876) is a monofluorobenzenes (CHEBI:83575)
Incoming Relation(s)
WZB-117 (CHEBI:229781) has functional parent 3-fluorocatechol (CHEBI:39876)
IUPAC Name 
3-fluorobenzene-1,2-diol
Synonyms  Source
1,2-dihydroxy-3-fluorobenzeneChEBI
3-fluoro-1,2-benzenediolChEBI
3-fluoro-1,2-dihydroxybenzeneChEBI
Manual XrefsDatabases
3FAPDBeChem
C16472KEGG COMPOUND
CPD-10613MetaCyc
Registry NumbersSources
Reaxys:2436074Reaxys
CAS:363-52-0KEGG COMPOUND
CAS:363-52-0ChemIDplus
Citations