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CHEBI:173601 - Isoamyl salicylate

ChEBI IDCHEBI:173601
ChEBI NameIsoamyl salicylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O3
Net Charge0
Average Mass208.257
Monoisotopic Mass208.10994
SMILESCC(C)CCOC(=O)c1ccccc1O
InChIInChI=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
InChIKeyPMGCQNGBLMMXEW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
HMDB0040225HMDB
6612ChemSpider
Registry NumbersSources
CAS:87-20-7ChemIDplus