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CHEBI:168238 - 1,4,4,7a-tetramethyl-1,4,5,7a-tetrahydro-2H-inden-2-one
| Formula | C13H18O |
| Net Charge | 0 |
| Average Mass | 190.286 |
| Monoisotopic Mass | 190.13577 |
| SMILES | CC1C(=O)C=C2C(C)(C)CC=CC21C |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| Roles Classification |
|---|
| Biological Role: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| 1,4,4,7a-tetramethyl-1,5-dihydroinden-2-one | SUBMITTER |
| FEMA 4522 | ChEBI |
| 2,2,6,7-tetramethylbicyclo[4.3.0]nona-4,9(1)-dien-8-one | ChEBI |
| 2,2,6,7-tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-one | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0036685 | HMDB |
| 35014200 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5737895 | Reaxys |
| CAS:97844-16-1 | ChEBI |