EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H21NO5 |
| Net Charge | 0 |
| Average Mass | 307.346 |
| Monoisotopic Mass | 307.14197 |
| SMILES | COC(=O)C[C@@H]1CC[C@H](NC(=O)c2ccccc2)[C@@H](CO)O1 |
| InChI | InChI=1S/C16H21NO5/c1-21-15(19)9-12-7-8-13(14(10-18)22-12)17-16(20)11-5-3-2-4-6-11/h2-6,12-14,18H,7-10H2,1H3,(H,17,20)/t12-,13-,14+/m0/s1 |
| InChIKey | FMDKDGDDTIJRQT-MELADBBJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2S,5S,6S)-5-benzamido-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester (CHEBI:118318) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-29767 | LINCS |