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CHEBI:215087 - Scopupyrone

ChEBI IDCHEBI:215087
ChEBI NameScopupyrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESCOc1cc([C@H](C)CC(C)O)oc(=O)c1C
InChIInChI=1S/C12H18O4/c1-7(5-8(2)13)10-6-11(15-4)9(3)12(14)16-10/h6-8,13H,5H2,1-4H3/t7-,8?/m1/s1
InChIKeyLKMONPXQUNHKRY-GVHYBUMESA-N
Species of MetaboliteComponentSourceComments
Scopulariopsisspecies (ncbitaxon:2006378) - DOI (10.1016/j.tet.2016.03.073)
ChEBI Ontology
Outgoing Relation(s)
Scopupyrone (CHEBI:215087) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(2R)-4-hydroxypentan-2-yl]-4-methoxy-3-methylpyran-2-one
Manual XrefsDatabases
58196698ChemSpider