EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H24O3 |
| Net Charge | 0 |
| Average Mass | 276.376 |
| Monoisotopic Mass | 276.17254 |
| SMILES | CCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 |
| InChI | InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+ |
| InChIKey | OQWKEEOHDMUXEO-BQYQJAHWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [6]-Shogaol (CHEBI:10138) is a enone (CHEBI:51689) |
| [6]-Shogaol (CHEBI:10138) is a monomethoxybenzene (CHEBI:25235) |
| [6]-Shogaol (CHEBI:10138) is a phenols (CHEBI:33853) |
| Synonym | Source |
|---|---|
| [6]-Shogaol | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C10494 | KEGG COMPOUND |
| C00002774 | KNApSAcK |
| HMDB0137236 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:555-66-8 | KEGG COMPOUND |