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CHEBI:197825 - Gulypyrone A

ChEBI IDCHEBI:197825
ChEBI NameGulypyrone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16O4
Net Charge0
Average Mass212.245
Monoisotopic Mass212.10486
SMILESCOc1cc(=O)oc(C(C)[C@H](C)O)c1C
InChIInChI=1S/C11H16O4/c1-6(8(3)12)11-7(2)9(14-4)5-10(13)15-11/h5-6,8,12H,1-4H3/t6?,8-/m0/s1
InChIKeyAENOIAKWMWASSC-XDKWHASVSA-N
Species of MetaboliteComponentSourceComments
Diaporthe gulyae (ncbitaxon:1116854) - PubMed (25700035)
ChEBI Ontology
Outgoing Relation(s)
Gulypyrone A (CHEBI:197825) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(3S)-3-hydroxybutan-2-yl]-4-methoxy-5-methylpyran-2-one
Manual XrefsDatabases
78436283ChemSpider