EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H26O11 |
| Net Charge | 0 |
| Average Mass | 430.406 |
| Monoisotopic Mass | 430.14751 |
| SMILES | CC(=O)c1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
| InChI | InChI=1S/C19H26O11/c1-8(20)9-2-4-10(5-3-9)29-19-17(26)15(24)14(23)12(30-19)7-28-18-16(25)13(22)11(21)6-27-18/h2-5,11-19,21-26H,6-7H2,1H3/t11-,12-,13+,14-,15+,16-,17-,18+,19-/m1/s1 |
| InChIKey | YQOKGDRMWQLQNR-BMVMOQKNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Bungeiside C (CHEBI:182246) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| 1-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone |
| Manual Xrefs | Databases |
|---|---|
| 113273 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:149475-53-6 | ChemIDplus |