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CHEBI:171820 - 2,6,6-Trimethyl-1-cyclohexen-1-acetaldehyde

ChEBI IDCHEBI:171820
ChEBI Name2,6,6-Trimethyl-1-cyclohexen-1-acetaldehyde
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O
Net Charge0
Average Mass166.264
Monoisotopic Mass166.13577
SMILESCC1=C(CC=O)C(C)(C)CCC1
InChIInChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3
InChIKeyVHTFHZGAMYUZEP-UHFFFAOYSA-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)
2,6,6-Trimethyl-1-cyclohexen-1-acetaldehyde (CHEBI:171820) is a aldehyde (CHEBI:17478)
IUPAC Name 
2-(2,6,6-trimethylcyclohexen-1-yl)acetaldehyde
Manual XrefsDatabases
HMDB0032540HMDB
55072ChemSpider
Registry NumbersSources
CAS:472-66-2ChemIDplus