CHEBI:17763 - 4-methylumbelliferyl acetate

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ChEBI Name 4-methylumbelliferyl acetate
Definition An acetate ester consiting of umbelliferone carrying a 7-O-acetyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12031, CHEBI:110551, CHEBI:1906, CHEBI:20453
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Formula C12H10O4
Net Charge 0
Average Mass 218.20540
Monoisotopic Mass 218.05791
InChI InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3
SMILES CC(=O)Oc1ccc2c(C)cc(=O)oc2c1
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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)
4-methyl-2-oxo-2H-chromen-7-yl acetate
Synonyms Sources
4-methyl-7-acetyloxy coumarin ChEBI
4-Methylumbelliferyl acetate KEGG COMPOUND
4-methylumbelliferyl acetate UniProt
7-(Acetyloxy)-4-methyl-2-benzopyrone ChemIDplus
7-(acetyloxy)-4-methyl-2H-1-benzopyran-2-one ChemIDplus
7-acetoxy-4-methylchromen-2-one ChEBI
7-Acetoxy-4-methylcoumarin ChemIDplus
beta-Methylumbelliferyl acetate ChemIDplus
Manual Xrefs Databases
CPD-181 MetaCyc
HMDB0032989 HMDB
US2008009544 Patent
WO2007107846 Patent
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Registry Numbers Types Sources
189667 Reaxys Registry Number Reaxys
2747-05-9 CAS Registry Number KEGG COMPOUND
2747-05-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11888210 PubMed citation Europe PMC
23245880 PubMed citation Europe PMC
Last Modified
05 February 2016