Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:27:35 UTC
Update Date2022-08-31 06:43:40 UTC
Metabolite IDMMDBc0018226
Metabolite Identification
Common Name(5-hydroxy-2-oxo-2H-pyran-4-yl)methyl acetate
Description(5-hydroxy-2-oxo-2H-pyran-4-yl)methyl acetate belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone (5-hydroxy-2-oxo-2H-pyran-4-yl)methyl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Synonyms
ValueSource
(5-Hydroxy-2-oxo-2H-pyran-4-yl)methyl acetic acidGenerator
Molecular FormulaC8H8O5
Average Mass184.147
Monoisotopic Mass184.037173358
IUPAC Name(5-hydroxy-2-oxo-2H-pyran-4-yl)methyl acetate
Traditional Name(5-hydroxy-2-oxopyran-4-yl)methyl acetate
CAS Registry NumberNot Available
SMILES
CC(=O)OCC1=CC(=O)OC=C1O
InChI Identifier
InChI=1S/C8H8O5/c1-5(9)12-3-6-2-8(11)13-4-7(6)10/h2,4,10H,3H2,1H3
InChI KeyABVVAMNPGZCMOL-UHFFFAOYSA-N