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CHEBI:172146 - Methyl-delta-ionone

ChEBI IDCHEBI:172146
ChEBI NameMethyl-delta-ionone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O
Net Charge0
Average Mass206.329
Monoisotopic Mass206.16707
SMILESCCC(=O)/C=C/C1C(C)C=CCC1(C)C
InChIInChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h6-9,11,13H,5,10H2,1-4H3/b9-8+
InChIKeyZQJCPDKTEXSWTH-CMDGGOBGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Methyl-delta-ionone (CHEBI:172146) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)pent-1-en-3-one
Manual XrefsDatabases
4576434ChemSpider
HMDB0032397HMDB
Registry NumbersSources
CAS:7784-98-7ChemIDplus