CHEBI:207093 - 4-ethyl-2H-pyran-2-one-6-carboxylic acid

ChEBI IDCHEBI:207093
ChEBI Name4-ethyl-2H-pyran-2-one-6-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H8O4
Net Charge0
Average Mass168.148
Monoisotopic Mass168.04226
SMILESCCc1cc(C(=O)O)oc(=O)c1
InChIInChI=1S/C8H8O4/c1-2-5-3-6(8(10)11)12-7(9)4-5/h3-4H,2H2,1H3,(H,10,11)
InChIKeyMLQUXOCAFOIUKM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Grosmannia crassivaginata (ncbitaxon:5161) - DOI (10.1016/0031-9422(94)00630-c)
ChEBI Ontology
Outgoing Relation(s)
4-ethyl-2H-pyran-2-one-6-carboxylic acid (CHEBI:207093) is a pyranone (CHEBI:37963)
IUPAC Name 
4-ethyl-6-oxopyran-2-carboxylic acid
Manual XrefsDatabases
60746578ChemSpider