CHEBI:16164 - pyrogallol

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ChEBI Name pyrogallol
ChEBI ID CHEBI:16164
Definition A benzenetriol carrying hydroxy groups at positions 1, 2 and 3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:45264, CHEBI:482, CHEBI:11135, CHEBI:14985, CHEBI:22708
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Formula C6H6O3
Net Charge 0
Average Mass 126.11004
Monoisotopic Mass 126.032
InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
InChIKey WQGWDDDVZFFDIG-UHFFFAOYSA-N
SMILES Oc1cccc(O)c1O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing pyrogallol (CHEBI:16164) has role plant metabolite (CHEBI:76924)
pyrogallol (CHEBI:16164) is a benzenetriol (CHEBI:22707)
Incoming 1,2,3-benzenetriol monosulfate (CHEBI:133588) has functional parent pyrogallol (CHEBI:16164)
2-methoxyresorcinol sulfate (CHEBI:133548) has functional parent pyrogallol (CHEBI:16164)
IUPAC Name
benzene-1,2,3-triol
Synonyms Sources
1,2,3-Benzenetriol KEGG COMPOUND
1,2,3-Trihydroxybenzene KEGG COMPOUND
1,2,3-trihydroxybenzene UniProt
benzene-1,2,3-triol ChEBI
Pyrogallic acid KEGG COMPOUND
Pyrogallol KEGG COMPOUND
Database Links Databases
C00002670 KNApSAcK
c0025 UM-BBD
C01108 KEGG COMPOUND
HMDB13674 HMDB
Pyrogallol Wikipedia
PYROGALLOL MetaCyc
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Registry Numbers Types Sources
87-66-1 CAS Registry Number KEGG COMPOUND
87-66-1 CAS Registry Number ChemIDplus
907431 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10427737 PubMed citation Europe PMC
18506365 PubMed citation Europe PMC
18760383 PubMed citation Europe PMC
19948158 PubMed citation Europe PMC
24415452 PubMed citation Europe PMC
24458986 PubMed citation Europe PMC
Last Modified
03 October 2016