EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H24O |
| Net Charge | 0 |
| Average Mass | 244.378 |
| Monoisotopic Mass | 244.18272 |
| SMILES | CC(=O)c1cc(C(C)(C)C)cc2c1CCC2(C)C |
| InChI | InChI=1S/C17H24O/c1-11(18)14-9-12(16(2,3)4)10-15-13(14)7-8-17(15,5)6/h9-10H,7-8H2,1-6H3 |
| InChIKey | IKTHMQYJOWTSJO-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000131) | MetaboLights (MTBLS2633) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-Acetyl-6-tert-butyl-1,1-dimethylindane (CHEBI:172483) is a indanes (CHEBI:46940) |
| IUPAC Name |
|---|
| 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone |
| Manual Xrefs | Databases |
|---|---|
| 55495 | ChemSpider |
| HMDB0031867 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:13171-00-1 | ChemIDplus |