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CHEBI:88921 - 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-one

ChEBI IDCHEBI:88921
ChEBI Name1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-one
Stars
DownloadsMolfile
FormulaC14H22O
Net Charge0
Average Mass206.329
Monoisotopic Mass206.16707
SMILESCCC(=O)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+
InChIKeyLMWNGLDCJDIIBR-CMDGGOBGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (24023812)
ChEBI Ontology
Outgoing Relation(s)
1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-one (CHEBI:88921) is a monoterpene (CHEBI:35187)
Synonyms  Source
1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-Penten-3-oneHMDB
(1E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-oneHMDB
(1E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)pent-1-en-3-oneHMDB
1-Methyl-b-iononeHMDB
1-penten-3-one-(2,6,6-trimethyl-1-cyclohen-1-yl)HMDB
5-(2,6, 6-Trimethyl-1-cyclohexenyl)-4-penten-3-oneHMDB
Manual XrefsDatabases
HMDB0038130HMDB
Registry NumbersSources
CAS:127-43-5KEGG COMPOUND
Citations