CHEBI:16579 - anisole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name anisole
ChEBI ID CHEBI:16579
Definition A monomethoxybenzene that is benzene substituted by a methoxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2736, CHEBI:13835, CHEBI:22564
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C7H8O
Net Charge 0
Average Mass 108.13782
Monoisotopic Mass 108.058
InChI InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey RDOXTESZEPMUJZ-UHFFFAOYSA-N
SMILES COc1ccccc1
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing anisole (CHEBI:16579) has role plant metabolite (CHEBI:76924)
anisole (CHEBI:16579) is a monomethoxybenzene (CHEBI:25235)
Incoming nitroanisoles (CHEBI:48726) has functional parent anisole (CHEBI:16579)
IUPAC Name
anisole
Synonyms Sources
Anisol NIST Chemistry WebBook
Anisole KEGG COMPOUND
anisole UniProt
Methoxybenzene KEGG COMPOUND
Methyl phenyl ether KEGG COMPOUND
Phenol methyl ether KEGG COMPOUND
Database Links Databases
Anisole Wikipedia
C01403 KEGG COMPOUND
CPD-395 MetaCyc
HMDB0033895 HMDB
View more database links
Registry Numbers Types Sources
100-66-3 CAS Registry Number ChemIDplus
100-66-3 CAS Registry Number NIST Chemistry WebBook
2964 Gmelin Registry Number Gmelin
506892 Reaxys Registry Number Reaxys
506892 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
11944828 PubMed citation Europe PMC
24814399 PubMed citation Europe PMC
Last Modified
23 October 2015