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CHEBI:16579 - anisole

ChEBI IDCHEBI:16579
ChEBI Nameanisole
Stars
DefinitionA monomethoxybenzene that is benzene substituted by a methoxy group.
Secondary ChEBI IDsCHEBI:2736, CHEBI:13835, CHEBI:22564
Last Modified23 October 2015
DownloadsMolfile
FormulaC7H8O
Net Charge0
Average Mass108.140
Monoisotopic Mass108.05751
SMILESCOc1ccccc1
InChIInChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyRDOXTESZEPMUJZ-UHFFFAOYSA-N
Wikipedia
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)
anisole (CHEBI:16579) has role plant metabolite (CHEBI:76924)
anisole (CHEBI:16579) is a monomethoxybenzene (CHEBI:25235)
Incoming Relation(s)
4-vinylanisole (CHEBI:235375) has functional parent anisole (CHEBI:16579)
nitroanisoles (CHEBI:48726) has functional parent anisole (CHEBI:16579)
pentachloroanisole (CHEBI:232435) is a anisole (CHEBI:16579)
IUPAC Name 
anisole
Synonyms  Source
AnisoleKEGG COMPOUND
MethoxybenzeneKEGG COMPOUND
Methyl phenyl etherKEGG COMPOUND
Phenol methyl etherKEGG COMPOUND
AnisolNIST Chemistry WebBook
UniProt Name  Source
anisoleUniProt
Manual XrefsDatabases
C01403KEGG COMPOUND
CPD-395MetaCyc
AnisoleWikipedia
HMDB0033895HMDB
Registry NumbersSources
Gmelin:2964Gmelin
Reaxys:506892Reaxys
CAS:100-66-3KEGG COMPOUND
CAS:100-66-3ChemIDplus
CAS:100-66-3NIST Chemistry WebBook
Citations