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CHEBI:173583 - Cuelure

ChEBI IDCHEBI:173583
ChEBI NameCuelure
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O3
Net Charge0
Average Mass206.241
Monoisotopic Mass206.09429
SMILESCC(=O)CCc1ccc(OC(C)=O)cc1
InChIInChI=1S/C12H14O3/c1-9(13)3-4-11-5-7-12(8-6-11)15-10(2)14/h5-8H,3-4H2,1-2H3
InChIKeyUMIKWXDGXDJQJK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Cuelure (CHEBI:173583) is a benzoate ester (CHEBI:36054)
Cuelure (CHEBI:173583) is a phenols (CHEBI:33853)
IUPAC Name 
[4-(3-oxobutyl)phenyl] acetate
Manual XrefsDatabases
HMDB0033594HMDB
18057ChemSpider
Registry NumbersSources
CAS:3572-06-3ChemIDplus