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CHEBI:210044 - Setosphapyrone C

ChEBI IDCHEBI:210044
ChEBI NameSetosphapyrone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O5
Net Charge0
Average Mass226.228
Monoisotopic Mass226.08412
SMILESCOc1cc(=O)oc(C)c1CCCC(=O)O
InChIInChI=1S/C11H14O5/c1-7-8(4-3-5-10(12)13)9(15-2)6-11(14)16-7/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyZMBGNPQCIINEBT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Exserohilum (ncbitaxon:91493) - PubMed (30091601)
ChEBI Ontology
Outgoing Relation(s)
Setosphapyrone C (CHEBI:210044) is a pyranone (CHEBI:37963)
IUPAC Name 
4-(4-methoxy-2-methyl-6-oxopyran-3-yl)butanoic acid
Manual XrefsDatabases
67155900ChemSpider