Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:47:40 UTC
Update Date2022-08-31 06:44:14 UTC
Metabolite IDMMDBc0018621
Metabolite Identification
Common Name3-hydroxybenzyl 2-(4-oxo-5,6-dihydro-2H-pyran-3-yl) acetate
Description3-hydroxybenzyl 2-(4-oxo-5,6-dihydro-2H-pyran-3-yl) acetate belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. Based on a literature review very few articles have been published on 3-hydroxybenzyl 2-(4-oxo-5,6-dihydro-2H-pyran-3-yl) acetate.
Structure
Synonyms
ValueSource
3-Hydroxybenzyl 2-(4-oxo-5,6-dihydro-2H-pyran-3-yl) acetic acidGenerator
Molecular FormulaC14H14O5
Average Mass262.261
Monoisotopic Mass262.084123551
IUPAC Name(3-hydroxyphenyl)methyl 2-(4-oxo-3,4-dihydro-2H-pyran-5-yl)acetate
Traditional Name(3-hydroxyphenyl)methyl (4-oxo-5,6-dihydropyran-3-yl)acetate
CAS Registry NumberNot Available
SMILES
OC1=CC=CC(COC(=O)CC2=COCCC2=O)=C1
InChI Identifier
InChI=1S/C14H14O5/c15-12-3-1-2-10(6-12)8-19-14(17)7-11-9-18-5-4-13(11)16/h1-3,6,9,15H,4-5,7-8H2
InChI KeyAWBGMZRVRSBJQZ-UHFFFAOYSA-N