EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:16164 - pyrogallol

ChEBI IDCHEBI:16164
ChEBI Namepyrogallol
Stars
DefinitionA benzenetriol carrying hydroxy groups at positions 1, 2 and 3.
Secondary ChEBI IDsCHEBI:482, CHEBI:11135, CHEBI:14985, CHEBI:22708, CHEBI:45264
Last Modified30 June 2023
DownloadsMolfile
FormulaC6H6O3
Net Charge0
Average Mass126.111
Monoisotopic Mass126.03169
SMILESOc1cccc(O)c1O
InChIInChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
InChIKeyWQGWDDDVZFFDIG-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
electron donor  A molecular entity that can transfer an electron to another molecular entity.
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
pyrogallol (CHEBI:16164) has role plant metabolite (CHEBI:76924)
pyrogallol (CHEBI:16164) is a benzenetriol (CHEBI:22707)
pyrogallol (CHEBI:16164) is a phenolic donor (CHEBI:139520)
Incoming Relation(s)
1,2,3-benzenetriol monosulfate (CHEBI:133588) has functional parent pyrogallol (CHEBI:16164)
2-methoxyresorcinol sulfate (CHEBI:133548) has functional parent pyrogallol (CHEBI:16164)
3-methoxycatechol (CHEBI:141700) has functional parent pyrogallol (CHEBI:16164)
IUPAC Name 
benzene-1,2,3-triol
Synonyms  Source
1,2,3-TrihydroxybenzeneKEGG COMPOUND
PyrogallolKEGG COMPOUND
Pyrogallic acidKEGG COMPOUND
1,2,3-BenzenetriolKEGG COMPOUND
benzene-1,2,3-triolChEBI
UniProt Name  Source
1,2,3-trihydroxybenzeneUniProt
Manual XrefsDatabases
C01108KEGG COMPOUND
C01108KEGG COMPOUND
c0025UM-BBD
PyrogallolWikipedia
PYROGALLOLMetaCyc
HMDB0013674HMDB
C00002670KNApSAcK
Registry NumbersSources
Reaxys:907431Reaxys
CAS:87-66-1KEGG COMPOUND
CAS:87-66-1ChemIDplus
Citations