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CHEBI:62 - (+)-trans-alpha-Irone

ChEBI IDCHEBI:62
ChEBI Name(+)-trans-alpha-Irone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC14H22O
Net Charge0
Average Mass206.329
Monoisotopic Mass206.16707
SMILESCC(=O)/C=C/[C@H]1C(C)=CC[C@H](C)C1(C)C
InChIInChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+/t11-,13-/m0/s1
InChIKeyJZQOJFLIJNRDHK-SXDPYWSBSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-trans-alpha-Irone (CHEBI:62) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
(+)-trans-alpha-IroneKEGG COMPOUND
Manual XrefsDatabases
C11350KEGG COMPOUND
C00003154KNApSAcK
Registry NumbersSources
CAS:35124-14-2KEGG COMPOUND