EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:192137 - 4-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-4-one

ChEBI IDCHEBI:192137
ChEBI Name4-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O
Net Charge0
Average Mass192.302
Monoisotopic Mass192.15142
SMILESC/C=C/C(=O)C1=C(C)CCCC1(C)C
InChIInChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+
InChIKeyBGTBFNDXYDYBEY-FNORWQNLSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
4-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-4-one (CHEBI:192137) is a enone (CHEBI:51689)
IUPAC Name 
(E)-1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one
Manual XrefsDatabases
HMDB0032541HMDB
4524302ChemSpider
Registry NumbersSources
CAS:23726-91-2ChemIDplus