EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H16O9 |
| Net Charge | 0 |
| Average Mass | 316.262 |
| Monoisotopic Mass | 316.07943 |
| SMILES | O=C(O)c1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O |
| InChI | InChI=1S/C13H16O9/c14-4-7-9(16)10(17)11(18)13(22-7)21-6-3-1-2-5(8(6)15)12(19)20/h1-3,7,9-11,13-18H,4H2,(H,19,20)/t7-,9-,10+,11-,13-/m1/s1 |
| InChIKey | KVRUHZSAKSIVTD-JEUROIALSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,3-dihydroxybenzoic acid 3-O-β-D-glucoside (CHEBI:137992) is a glycoside (CHEBI:24400) |