CHEBI:168238 - 1,4,4,7a-tetramethyl-1,4,5,7a-tetrahydro-2H-inden-2-one

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ChEBI Name 1,4,4,7a-tetramethyl-1,4,5,7a-tetrahydro-2H-inden-2-one ChEBI ID CHEBI:168238 ChEBI ASCII Name 1,4,4,7a-tetramethyl-1,4,5,7a-tetrahydro-2H-inden-2-one Definition A member of the class of indenes that is 2,4,5,7a-tetrahydro-1H-indene substituted by methyl groups at positions 1, 4, 4 and 7a and by an oxo group at position 2. Stars This entity has been manually annotated by the ChEBI Team. Submitter MetaboLights 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 C13H18O Net Charge 0 Average Mass 190.286 Monoisotopic Mass 190.13577 InChI InChI=1S/C13H18O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-9H,6H2,1-4H3 InChIKey KTDAEZJBJUWAPC-UHFFFAOYSA-N SMILES CC1C(=O)C=C2C1(C)C=CCC2(C)C Metabolite of Species Details Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study Roles Classification Biological Role(s): 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 1,4,4,7a-tetramethyl-1,4,5,7a-tetrahydro-2H-inden-2-one (CHEBI:168238) has role flavouring agent (CHEBI:35617) 1,4,4,7a-tetramethyl-1,4,5,7a-tetrahydro-2H-inden-2-one (CHEBI:168238) is a cyclic ketone (CHEBI:3992) 1,4,4,7a-tetramethyl-1,4,5,7a-tetrahydro-2H-inden-2-one (CHEBI:168238) is a enone (CHEBI:51689) 1,4,4,7a-tetramethyl-1,4,5,7a-tetrahydro-2H-inden-2-one (CHEBI:168238) is a indene (CHEBI:37910) IUPAC Name 1,4,4,7a-tetramethyl-1,4,5,7a-tetrahydro-2H-inden-2-one Synonyms Sources 1,4,4,7a-tetramethyl-1,5-dihydroinden-2-one SUBMITTER 2,2,6,7-tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-one ChEBI 2,2,6,7-tetramethylbicyclo[4.3.0]nona-4,9(1)-dien-8-one ChEBI FEMA 4522 ChEBI Manual Xrefs Databases 35014200 ChemSpider HMDB0036685 HMDB View more database links Registry Numbers Types Sources 5737895 Reaxys Registry Number Reaxys 97844-16-1 CAS Registry Number ChEBI Last Modified 14 January 2022