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CHEBI:210075 - Setosphapyrone D

ChEBI IDCHEBI:210075
ChEBI NameSetosphapyrone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O5
Net Charge0
Average Mass240.255
Monoisotopic Mass240.09977
SMILESCOC(=O)CCCc1c(OC)cc(=O)oc1C
InChIInChI=1S/C12H16O5/c1-8-9(5-4-6-11(13)16-3)10(15-2)7-12(14)17-8/h7H,4-6H2,1-3H3
InChIKeyNKTLEOWEOOHFNG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Exserohilum (ncbitaxon:91493) - PubMed (30091601)
ChEBI Ontology
Outgoing Relation(s)
Setosphapyrone D (CHEBI:210075) is a pyranone (CHEBI:37963)
IUPAC Name 
methyl 4-(4-methoxy-2-methyl-6-oxopyran-3-yl)butanoate
Manual XrefsDatabases
71044428ChemSpider