EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H19NO4 |
| Net Charge | 0 |
| Average Mass | 289.331 |
| Monoisotopic Mass | 289.13141 |
| SMILES | CN1C2CCC1[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C2 |
| InChI | InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11?,12?,13-,14+/m0/s1 |
| InChIKey | GVGYEFKIHJTNQZ-CLRIEMFWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3S,4R)-3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid (CHEBI:181959) is a benzoate ester (CHEBI:36054) |
| IUPAC Name |
|---|
| (2R,3S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid |