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CHEBI:168208 - 4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone

ChEBI IDCHEBI:168208
ChEBI Name4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24O2
Net Charge0
Average Mass212.333
Monoisotopic Mass212.17763
SMILESCC(O)CCC1C(C)CC(=O)CC1(C)C
InChIInChI=1S/C13H24O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h9-10,12,14H,5-8H2,1-4H3
InChIKeyQIHMBTNCJUFMCE-UHFFFAOYSA-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-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone (CHEBI:168208) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
4-(3-hydroxybutyl)-3,3,5-trimethylcyclohexan-1-one
Manual XrefsDatabases
35014878ChemSpider
HMDB0039805HMDB