EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H12O |
| Net Charge | 0 |
| Average Mass | 160.216 |
| Monoisotopic Mass | 160.08882 |
| SMILES | CC(=O)/C(C)=C/c1ccccc1 |
| InChI | InChI=1S/C11H12O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8+ |
| InChIKey | BQJFBHBDOAIIGS-CMDGGOBGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000131) | MetaboLights (MTBLS2633) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Methyl-4-phenyl-3-buten-2-one (CHEBI:172417) is a benzenes (CHEBI:22712) |
| IUPAC Name |
|---|
| (E)-3-methyl-4-phenylbut-3-en-2-one |