EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H15O13S |
| Net Charge | -1 |
| Average Mass | 411.317 |
| Monoisotopic Mass | 411.02389 |
| SMILES | O=C(O)c1cc(O)c(O[C@@H]2O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 |
| InChI | InChI=1S/C13H16O13S/c14-5-1-4(12(19)20)2-6(15)11(5)26-13-10(18)9(17)8(16)7(25-13)3-24-27(21,22)23/h1-2,7-10,13-18H,3H2,(H,19,20)(H,21,22,23)/p-1/t7-,8-,9+,10-,13+/m1/s1 |
| InChIKey | PCNPDUJUHNLVNS-YANYRWCTSA-M |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Turgorin (CHEBI:9780) is a trihydroxybenzoic acid (CHEBI:27115) |
| Synonym | Source |
|---|---|
| Turgorin | KEGG COMPOUND |