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CHEBI:2716 - anethole

ChEBI IDCHEBI:2716
ChEBI Nameanethole
Stars
DefinitionA monomethoxybenzene that is methoxybenzene substituted by a prop-1-en-1-yl group at position 4.
Last Modified26 February 2016
DownloadsMolfile
FormulaC10H12O
Net Charge0
Average Mass148.205
Monoisotopic Mass148.08882
SMILES[H]C(C)=Cc1ccc(OC)cc1
InChIInChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3
InChIKeyRUVINXPYWBROJD-UHFFFAOYSA-N
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)
anethole (CHEBI:2716) has role plant metabolite (CHEBI:76924)
anethole (CHEBI:2716) is a monomethoxybenzene (CHEBI:25235)
Incoming Relation(s)
cis-anethole (CHEBI:78412) is a anethole (CHEBI:2716)
trans-anethole (CHEBI:35616) is a anethole (CHEBI:2716)
IUPAC Name 
1-methoxy-4-(prop-1-en-1-yl)benzene
Synonyms  Source
methyl 4-(prop-1-en-1-yl)phenyl etherIUPAC
p-propenylanisoleChEBI
Manual XrefsDatabases
LSM-37103LINCS
Registry NumbersSources
Reaxys:774229Reaxys
CAS:104-46-1ChemIDplus
Citations