CHEBI:88549 - dihydrodehydro-β-ionone

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ChEBI Name dihydrodehydro-β-ionone ChEBI ID CHEBI:88549 ChEBI ASCII Name dihydrodehydro-beta-ionone Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H20O Net Charge 0 Average Mass 192.302 Monoisotopic Mass 192.15142 InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6H,7-9H2,1-4H3 InChIKey SQFRYZPEWOZAKJ-UHFFFAOYSA-N SMILES C1C=CC(=C(C1(C)C)CCC(C)=O)C Roles Classification Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. flavouring agent A food additive that is used to added improve the taste or odour of a food. Application(s): flavouring agent A food additive that is used to added improve the taste or odour of a food. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources 3,4-didehydro-7,8-dihydro-β-ionone NIST Chemistry WebBook 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-butanone HMDB 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)butan-2-one ChemIDplus 4-(2,6,6-trimethyl-1,3-cyclohexadienyl)-2-butanone ChEBI 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-one HMDB 4-(2,6,6-trimethylcyclohexa-1,3-dienyl)butan-2-one HMDB 7,8-dihydro-3,4-dehydro-β-ionone NIST Chemistry WebBook dehydrodihydroionone ChemIDplus dihydrodehydro-beta-ionone ChemIDplus FEMA 3447 HMDB Manual Xrefs Databases FDB016134 FooDB HMDB0037139 HMDB US3928645 Patent View more database links Registry Numbers Types Sources 20483-36-7 CAS Registry Number ChemIDplus 20483-36-7 CAS Registry Number NIST Chemistry WebBook 2641515 Reaxys Registry Number Reaxys Citations Types Sources 24023812 PubMed citation Europe PMC 32411613 PubMed citation Europe PMC Last Modified 17 June 2020