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CHEBI:210069 - Setosphapyrone A

ChEBI IDCHEBI:210069
ChEBI NameSetosphapyrone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16O4
Net Charge0
Average Mass212.245
Monoisotopic Mass212.10486
SMILESCC[C@H](O)Cc1c(OC)cc(=O)oc1C
InChIInChI=1S/C11H16O4/c1-4-8(12)5-9-7(2)15-11(13)6-10(9)14-3/h6,8,12H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyGREACTBPWIMMPJ-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Exserohilum (ncbitaxon:91493) - PubMed (30091601)
ChEBI Ontology
Outgoing Relation(s)
Setosphapyrone A (CHEBI:210069) is a pyranone (CHEBI:37963)
IUPAC Name 
5-(2-hydroxybutyl)-4-methoxy-6-methylpyran-2-one
Manual XrefsDatabases
71044426ChemSpider