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CHEBI:210604 - Phomapyrone B

ChEBI IDCHEBI:210604
ChEBI NamePhomapyrone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O4
Net Charge0
Average Mass224.256
Monoisotopic Mass224.10486
SMILESCC[C@H](C)C(=O)Cc1cc(O)c(C)c(=O)o1
InChIInChI=1S/C12H16O4/c1-4-7(2)10(13)5-9-6-11(14)8(3)12(15)16-9/h6-7,14H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyCRWYBXBKGMHTRM-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Plenodomus lingam (ncbitaxon:5022) - DOI (10.1016/s0031-9422(00)89658-2)
ChEBI Ontology
Outgoing Relation(s)
Phomapyrone B (CHEBI:210604) is a pyranone (CHEBI:37963)
IUPAC Name 
4-hydroxy-3-methyl-6-(3-methyl-2-oxopentyl)pyran-2-one
Manual XrefsDatabases
57476494ChemSpider