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CHEBI:18080 - 5-oxo-2,5-dihydro-2-furylacetic acid

ChEBI IDCHEBI:18080
ChEBI Name5-oxo-2,5-dihydro-2-furylacetic acid
Stars
DefinitionA 5-oxo-2-furylacetic acid having the C=C double bond at the 3,4-position.
Secondary ChEBI IDsCHEBI:934, CHEBI:11450, CHEBI:12150, CHEBI:19379
Last Modified6 February 2017
DownloadsMolfile

FormulaC6H6O4
Net Charge0
Average Mass142.110
Monoisotopic Mass142.02661
SMILESO=C(O)CC1C=CC(=O)O1
InChIInChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)
InChIKeyHPEKPJGPWNSAAV-UHFFFAOYSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
(5-oxo-2,5-dihydrofuran-2-yl)acetic acid
Synonyms  Source
2,5-Dihydro-5-oxofuran-2-acetateKEGG COMPOUND
2-Oxo-2,5-dihydrofuran-5-acetateKEGG COMPOUND
MuconolactoneKEGG COMPOUND
5-Oxo-2,5-dihydrofuran-2-acetateKEGG COMPOUND
4-Carboxymethyl-4-hydroxyisocrotonolactoneKEGG COMPOUND
Manual XrefsDatabases
C04105KEGG COMPOUND
Registry NumbersSources
Beilstein:81229Beilstein
Beilstein:114448Beilstein
CAS:6666-46-2KEGG COMPOUND
CAS:6666-46-2ChemIDplus