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CHEBI:229064 - Aurantiacone

ChEBI IDCHEBI:229064
ChEBI NameAurantiacone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O4
Net Charge0
Average Mass306.402
Monoisotopic Mass306.18311
SMILESCC(C)=CCC/C(C)=C/Cc1c(O)oc(CC(C)O)cc1=O
InChIInChI=1S/C18H26O4/c1-12(2)6-5-7-13(3)8-9-16-17(20)11-15(10-14(4)19)22-18(16)21/h6,8,11,14,19,21H,5,7,9-10H2,1-4H3/b13-8+
InChIKeyNYCYZTPIGKMQEH-MDWZMJQESA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Aurantiacone (CHEBI:229064) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-6-(2-hydroxypropyl)pyran-4-one
Manual XrefsDatabases
4478972ChemSpider