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CHEBI:172145 - 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one

ChEBI IDCHEBI:172145
ChEBI Name1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O
Net Charge0
Average Mass206.329
Monoisotopic Mass206.16707
SMILESCCC(=O)/C=C/C1C(C)=CCCC1(C)C
InChIInChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+
InChIKeyVPKMGDRERYMTJX-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)
1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one (CHEBI:172145) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
Manual XrefsDatabases
HMDB0035245HMDB
4521710ChemSpider
Registry NumbersSources
CAS:127-42-4ChemIDplus