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CHEBI:220807 - Xylaropyrone B

ChEBI IDCHEBI:220807
ChEBI NameXylaropyrone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESCC[C@@H](C)C[C@H](O)c1cc(=O)c(CO)co1
InChIInChI=1S/C12H18O4/c1-3-8(2)4-11(15)12-5-10(14)9(6-13)7-16-12/h5,7-8,11,13,15H,3-4,6H2,1-2H3/t8-,11+/m1/s1
InChIKeyVWXRIXPWCVYPKR-KCJUWKMLSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (29022356)
ChEBI Ontology
Outgoing Relation(s)
Xylaropyrone B (CHEBI:220807) is a pyranone (CHEBI:37963)
IUPAC Name 
5-(hydroxymethyl)-2-[(1S,3R)-1-hydroxy-3-methylpentyl]pyran-4-one
Manual XrefsDatabases
78439561ChemSpider