CHEBI:173601 - Isoamyl salicylate

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ChEBI Name Isoamyl salicylate
ChEBI ID CHEBI:173601
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H16O3
Net Charge 0
Average Mass 208.257
Monoisotopic Mass 208.10994
InChI InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
InChIKey PMGCQNGBLMMXEW-UHFFFAOYSA-N
SMILES O(CCC(C)C)C(=O)C=1C(O)=CC=CC1
ChEBI Ontology
Outgoing Isoamyl salicylate (CHEBI:173601) has functional parent salicylic acid (CHEBI:16914)
Isoamyl salicylate (CHEBI:173601) is a benzoate ester (CHEBI:36054)
Isoamyl salicylate (CHEBI:173601) is a phenols (CHEBI:33853)
IUPAC Name
3-methylbutyl 2-hydroxybenzoate
Manual Xrefs Databases
6612 ChemSpider
HMDB0040225 HMDB
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Registry Number Type Source
87-20-7 CAS Registry Number ChemIDplus