CHEBI:196028 - Isoamyl p-anisate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Isoamyl p-anisate
ChEBI ID CHEBI:196028
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H18O3
Net Charge 0
Average Mass 222.284
Monoisotopic Mass 222.12559
InChI InChI=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
InChIKey FVMBSMBXEVMMGH-UHFFFAOYSA-N
SMILES O(CCC(C)C)C(=O)C1=CC=C(OC)C=C1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Isoamyl p-anisate (CHEBI:196028) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name
3-methylbutyl 4-methoxybenzoate
Manual Xrefs Databases
106884 ChemSpider
HMDB0038894 HMDB
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