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CHEBI:168826 - 4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-3-en-2-one

ChEBI IDCHEBI:168826
ChEBI Name4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-3-en-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O
Net Charge0
Average Mass190.286
Monoisotopic Mass190.13577
SMILESCC(=O)/C=C/C1=C(C)C=CCC1(C)C
InChIInChI=1S/C13H18O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-8H,9H2,1-4H3/b8-7+
InChIKeyUWWCASOGCPOGJP-BQYQJAHWSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-3-en-2-one (CHEBI:168826) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E)-4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-en-2-one
Manual XrefsDatabases
4509568ChemSpider
HMDB0059904HMDB