EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:17763 - 4-methylumbelliferyl acetate

ChEBI IDCHEBI:17763
ChEBI Name4-methylumbelliferyl acetate
Stars
DefinitionAn acetate ester consiting of umbelliferone carrying a 7-O-acetyl group.
Secondary ChEBI IDsCHEBI:1906, CHEBI:12031, CHEBI:20453, CHEBI:110551
Last Modified5 February 2016
DownloadsMolfile
FormulaC12H10O4
Net Charge0
Average Mass218.208
Monoisotopic Mass218.05791
SMILESCC(=O)Oc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3
InChIKeyHXVZGASCDAGAPS-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
4-methylumbelliferyl acetate (CHEBI:17763) has functional parent umbelliferone (CHEBI:27510)
4-methylumbelliferyl acetate (CHEBI:17763) has role plant metabolite (CHEBI:76924)
4-methylumbelliferyl acetate (CHEBI:17763) is a acetate ester (CHEBI:47622)
4-methylumbelliferyl acetate (CHEBI:17763) is a coumarins (CHEBI:23403)
IUPAC Name 
4-methyl-2-oxo-2H-chromen-7-yl acetate
Synonyms  Source
4-Methylumbelliferyl acetateKEGG COMPOUND
7-(acetyloxy)-4-methyl-2H-1-benzopyran-2-oneChemIDplus
7-(Acetyloxy)-4-methyl-2-benzopyroneChemIDplus
7-Acetoxy-4-methylcoumarinChemIDplus
7-acetoxy-4-methylchromen-2-oneChEBI
4-methyl-7-acetyloxy coumarinChEBI
UniProt Name  Source
4-methylumbelliferyl acetateUniProt
Manual XrefsDatabases
C03837KEGG COMPOUND
CPD-181MetaCyc
HMDB0032989HMDB
US2008009544Patent
WO2007107846Patent
Registry NumbersSources
Reaxys:189667Reaxys
CAS:2747-05-9KEGG COMPOUND
CAS:2747-05-9ChemIDplus
Citations