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CHEBI:213111 - Xylaropyrone

ChEBI IDCHEBI:213111
ChEBI NameXylaropyrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O3
Net Charge0
Average Mass210.273
Monoisotopic Mass210.12559
SMILESCC[C@@H](C)CCc1cc(=O)c(CO)co1
InChIInChI=1S/C12H18O3/c1-3-9(2)4-5-11-6-12(14)10(7-13)8-15-11/h6,8-9,13H,3-5,7H2,1-2H3/t9-/m1/s1
InChIKeyINEAKDRHDBRKJD-SECBINFHSA-N
Species of MetaboliteComponentSourceComments
Xylaria feejeensis (ncbitaxon:498163) - PubMed (21179046)
ChEBI Ontology
Outgoing Relation(s)
Xylaropyrone (CHEBI:213111) is a pyranone (CHEBI:37963)
IUPAC Name 
5-(hydroxymethyl)-2-[(3R)-3-methylpentyl]pyran-4-one
Manual XrefsDatabases
28288732ChemSpider