CHEBI:169987 - Isodehydracetic acid

ChEBI IDCHEBI:169987
ChEBI NameIsodehydracetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H8O4
Net Charge0
Average Mass168.148
Monoisotopic Mass168.04226
SMILESCc1cc(=O)oc(C)c1C(=O)O
InChIInChI=1S/C8H8O4/c1-4-3-6(9)12-5(2)7(4)8(10)11/h3H,1-2H3,(H,10,11)
InChIKeyQOADIMYPCZMZSG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus Musculus (ncbitaxon:10090)
blood plasma (BTO:0000131) MetaboLights (MTBLS1903) Strain: C57BL/6N Mouse [THESAURUS.OWL#C37385]
liver (BTO:0000759) MetaboLights (MTBLS1903) Strain: C57BL/6N Mouse [THESAURUS.OWL#C37385]
ChEBI Ontology
Outgoing Relation(s)
Isodehydracetic acid (CHEBI:169987) is a pyranone (CHEBI:37963)
IUPAC Name 
2,4-dimethyl-6-oxopyran-3-carboxylic acid
Manual XrefsDatabases
86455ChemSpider
Registry NumbersSources
CAS:480-65-9ChemIDplus