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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:16579 - anisole
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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
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Formula
C7H8O
Net Charge
0
Average Mass
108.13782
Monoisotopic Mass
108.05751
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
Manual Xrefs
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
Types
Sources
11944828
PubMed citation
Europe PMC
24814399
PubMed citation
Europe PMC
Last Modified
23 October 2015