EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H27FN2O5 |
| Net Charge | 0 |
| Average Mass | 430.476 |
| Monoisotopic Mass | 430.19040 |
| SMILES | COc1ccc(CNC(=O)C[C@@H]2CC[C@@H](NC(=O)c3cccc(F)c3)[C@@H](CO)O2)cc1 |
| InChI | InChI=1S/C23H27FN2O5/c1-30-18-7-5-15(6-8-18)13-25-22(28)12-19-9-10-20(21(14-27)31-19)26-23(29)16-3-2-4-17(24)11-16/h2-8,11,19-21,27H,9-10,12-14H2,1H3,(H,25,28)(H,26,29)/t19-,20+,21+/m0/s1 |
| InChIKey | DVYXTDYPIFUIBC-PWRODBHTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxanyl]benzamide (CHEBI:120382) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31825 | LINCS |