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CHEBI:211745 - Tetrahydroionone

ChEBI IDCHEBI:211745
ChEBI NameTetrahydroionone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24O
Net Charge0
Average Mass196.334
Monoisotopic Mass196.18272
SMILESCC(=O)CCC1C(C)CCCC1(C)C
InChIInChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h10,12H,5-9H2,1-4H3
InChIKeyPQCDGQHNORPNBR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phormidiumspecies (ncbitaxon:1199) - DOI (10.1002/ffj.1464)
ChEBI Ontology
Outgoing Relation(s)
Tetrahydroionone (CHEBI:211745) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
4-(2,2,6-trimethylcyclohexyl)butan-2-one
Manual XrefsDatabases
99438ChemSpider