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CHEBI:198404 - Citreo-g-pyrone

ChEBI IDCHEBI:198404
ChEBI NameCitreo-g-pyrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESCO/C(=C/C(=O)O)c1c(C)oc(C)cc1=O
InChIInChI=1S/C11H12O5/c1-6-4-8(12)11(7(2)16-6)9(15-3)5-10(13)14/h4-5H,1-3H3,(H,13,14)/b9-5+
InChIKeyJMMYNIBVDWEZBT-WEVVVXLNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4039(99)01408-2)
ChEBI Ontology
Outgoing Relation(s)
Citreo-g-pyrone (CHEBI:198404) is a pyranone (CHEBI:37963)
IUPAC Name 
(E)-3-(2,6-dimethyl-4-oxopyran-3-yl)-3-methoxyprop-2-enoic acid
Manual XrefsDatabases
8903152ChemSpider