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CHEBI:955 - 2,6-dimethoxyphenol

ChEBI IDCHEBI:955
ChEBI Name2,6-dimethoxyphenol
Stars
DefinitionA member of the class of phenols that is phenol substituted by methoxy groups at positions 2 and 6.
Last Modified14 July 2016
DownloadsMolfile
FormulaC8H10O3
Net Charge0
Average Mass154.165
Monoisotopic Mass154.06299
SMILESCOc1cccc(OC)c1O
InChIInChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3
InChIKeyKLIDCXVFHGNTTM-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Panax japonicus var. major (ncbitaxon:45211) root (BTO:0001188) PubMed (21417387) Ethanolic extract of dried and pulverized roots
Roles Classification
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)
2,6-dimethoxyphenol (CHEBI:955) has role plant metabolite (CHEBI:76924)
2,6-dimethoxyphenol (CHEBI:955) is a dimethoxybenzene (CHEBI:51681)
2,6-dimethoxyphenol (CHEBI:955) is a phenols (CHEBI:33853)
Incoming Relation(s)
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one (CHEBI:91204) has functional parent 2,6-dimethoxyphenol (CHEBI:955)
IUPAC Name 
2,6-dimethoxyphenol
Synonyms  Source
1,3-di-O-methylpyrogallolChemIDplus
1,3-dimethoxy-2-hydroxybenzeneChemIDplus
1,3-dimethyl pyrogallateNIST Chemistry WebBook
2,6-DimethoxyphenolKEGG COMPOUND
2-hydroxy-1,3-dimethoxybenzeneChemIDplus
Pyrogallol 1,3-dimethyl etherKEGG COMPOUND
Manual XrefsDatabases
3DMPDBeChem
C00002646KNApSAcK
C10787KEGG COMPOUND
CPD-12797MetaCyc
HMDB0034158HMDB
SyringolWikipedia
Registry NumbersSources
Reaxys:1526871Reaxys
Gmelin:794071Gmelin
CAS:91-10-1KEGG COMPOUND
CAS:91-10-1ChemIDplus
CAS:91-10-1NIST Chemistry WebBook
Citations