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CHEBI:88549 - dihydrodehydro-β-ionone

ChEBI IDCHEBI:88549
ChEBI Namedihydrodehydro-β-ionone
Stars
ASCII Namedihydrodehydro-beta-ionone
DefinitionA member of the class of cyclohexadienes that is cyclohexa-1,3-diene substituted by a 3-oxobutyl group at position 1 and by methyl groups at positions 2 and 6.
Last Modified17 June 2020
DownloadsMolfile
FormulaC13H20O
Net Charge0
Average Mass192.302
Monoisotopic Mass192.15142
SMILESCC(=O)CCC1=C(C)C=CCC1(C)C
InChIInChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6H,7-9H2,1-4H3
InChIKeySQFRYZPEWOZAKJ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
dihydrodehydro-β-ionone (CHEBI:88549) has role flavouring agent (CHEBI:35617)
dihydrodehydro-β-ionone (CHEBI:88549) has role human urinary metabolite (CHEBI:84087)
dihydrodehydro-β-ionone (CHEBI:88549) is a cyclohexadiene (CHEBI:37613)
dihydrodehydro-β-ionone (CHEBI:88549) is a methyl ketone (CHEBI:51867)
IUPAC Name 
4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-one
Synonyms  Source
4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)butan-2-oneChemIDplus
FEMA 3447HMDB
7,8-dihydro-3,4-dehydro-β-iononeNIST Chemistry WebBook
4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-butanoneHMDB
dehydrodihydroiononeChemIDplus
dihydrodehydro-beta-iononeChemIDplus
Manual XrefsDatabases
HMDB0037139HMDB
FDB016134FooDB
US3928645Patent
Registry NumbersSources
Reaxys:2641515Reaxys
CAS:20483-36-7ChemIDplus
CAS:20483-36-7NIST Chemistry WebBook
Citations