EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H22O9 |
| Net Charge | 0 |
| Average Mass | 406.387 |
| Monoisotopic Mass | 406.12638 |
| SMILES | O=C(OCc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 |
| InChI | InChI=1S/C20H22O9/c21-9-15-16(23)17(24)18(25)20(29-15)28-14-7-6-13(22)8-12(14)10-27-19(26)11-4-2-1-3-5-11/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20-/m1/s1 |
| InChIKey | UQCOPGRRWQCCFR-BFMVXSJESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| salireposide (CHEBI:137508) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| [2-(β-D-glucopyranosyloxy)-5-hydroxyphenyl]methyl benzoate |
| Manual Xrefs | Databases |
|---|---|
| 104951 | ChemSpider |