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CHEBI:196028 - Isoamyl p-anisate

ChEBI IDCHEBI:196028
ChEBI NameIsoamyl p-anisate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O3
Net Charge0
Average Mass222.284
Monoisotopic Mass222.12559
SMILESCOc1ccc(C(=O)OCCC(C)C)cc1
InChIInChI=1S/C13H18O3/c1-10(2)8-9-16-13(14)11-4-6-12(15-3)7-5-11/h4-7,10H,8-9H2,1-3H3
InChIKeyFVMBSMBXEVMMGH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Isoamyl p-anisate (CHEBI:196028) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
3-methylbutyl 4-methoxybenzoate
Manual XrefsDatabases
HMDB0038894HMDB
106884ChemSpider