EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H17NO5 |
| Net Charge | 0 |
| Average Mass | 291.303 |
| Monoisotopic Mass | 291.11067 |
| SMILES | Cc1cc(C)c(O)c(C(=O)C[C@@H]2CC(=O)NC(=O)C2O)c1 |
| InChI | InChI=1S/C15H17NO5/c1-7-3-8(2)13(19)10(4-7)11(17)5-9-6-12(18)16-15(21)14(9)20/h3-4,9,14,19-20H,5-6H2,1-2H3,(H,16,18,21)/t9-,14?/m1/s1 |
| InChIKey | ZGJCDRKURNFGIO-UCWRFOARSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| C-73X1 (CHEBI:204176) is a aromatic ketone (CHEBI:76224) |
| IUPAC Name |
|---|
| (4R)-3-hydroxy-4-[2-(2-hydroxy-3,5-dimethylphenyl)-2-oxoethyl]piperidine-2,6-dione |
| Manual Xrefs | Databases |
|---|---|
| 78439678 | ChemSpider |