CHEBI:200563 - Dykellic acid

ChEBI IDCHEBI:200563
ChEBI NameDykellic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O4
Net Charge0
Average Mass248.278
Monoisotopic Mass248.10486
SMILESC=C1C=C(CCC(=O)O)C(=O)O[C@H]1/C=C/C=C/C
InChIInChI=1S/C14H16O4/c1-3-4-5-6-12-10(2)9-11(14(17)18-12)7-8-13(15)16/h3-6,9,12H,2,7-8H2,1H3,(H,15,16)/b4-3+,6-5+/t12-/m0/s1
InChIKeyXMBYWWHLSMXSPA-KVOZUEDISA-N
Species of MetaboliteComponentSourceComments
Westerdykella (ncbitaxon:45153) - DOI (10.1016/s0040-4039(99)01367-2)
ChEBI Ontology
Outgoing Relation(s)
Dykellic acid (CHEBI:200563) is a pyranone (CHEBI:37963)
IUPAC Name 
3-[5-methylidene-2-oxo-6-[(1E,3E)-penta-1,3-dienyl]pyran-3-yl]propanoic acid
Manual XrefsDatabases
4910862ChemSpider