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CHEBI:172466 - Allixin

ChEBI IDCHEBI:172466
ChEBI NameAllixin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESCCCCCc1oc(C)c(OC)c(=O)c1O
InChIInChI=1S/C12H18O4/c1-4-5-6-7-9-10(13)11(14)12(15-3)8(2)16-9/h13H,4-7H2,1-3H3
InChIKeyOHRPDNHRQKOLGN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Allixin (CHEBI:172466) is a pyranone (CHEBI:37963)
IUPAC Name 
5-hydroxy-3-methoxy-2-methyl-6-pentylpyran-4-one
Manual XrefsDatabases
77892ChemSpider
HMDB0040705HMDB
Registry NumbersSources
CAS:125263-70-9ChemIDplus