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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:16164 - pyrogallol
Main
ChEBI Ontology
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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
126.03169
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
Chemical Role
(s):
electron donor
A molecular entity that can transfer an electron to another molecular entity.
(via
phenolic donor
)
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
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
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
Manual Xrefs
Databases
C00002670
KNApSAcK
c0025
UM-BBD
C01108
KEGG COMPOUND
HMDB0013674
HMDB
Pyrogallol
Wikipedia
PYROGALLOL
MetaCyc
View more database links
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
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
30 June 2023