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CHEBI:210051 - Setosphapyrone B

ChEBI IDCHEBI:210051
ChEBI NameSetosphapyrone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16O4
Net Charge0
Average Mass212.245
Monoisotopic Mass212.10486
SMILESCOc1cc(=O)oc(C)c1CC[C@H](C)O
InChIInChI=1S/C11H16O4/c1-7(12)4-5-9-8(2)15-11(13)6-10(9)14-3/h6-7,12H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyOQNDTGUVDYVTJJ-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Exserohilum (ncbitaxon:91493) - PubMed (30091601)
ChEBI Ontology
Outgoing Relation(s)
Setosphapyrone B (CHEBI:210051) is a pyranone (CHEBI:37963)
IUPAC Name 
5-(3-hydroxybutyl)-4-methoxy-6-methylpyran-2-one
Manual XrefsDatabases
71044427ChemSpider