EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H17O12 |
| Net Charge | -1 |
| Average Mass | 461.355 |
| Monoisotopic Mass | 461.07255 |
| SMILES | O=C([O-])[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/p-1/t16-,17-,18+,19-,21+/m0/s1 |
| InChIKey | VSUOKLTVXQRUSG-ZFORQUDYSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| luteolin 7-O-β-D-glucosiduronate (CHEBI:58385) is a carbohydrate acid derivative anion (CHEBI:63551) |
| luteolin 7-O-β-D-glucosiduronate (CHEBI:58385) is a monocarboxylic acid anion (CHEBI:35757) |
| luteolin 7-O-β-D-glucosiduronate (CHEBI:58385) is conjugate acid of luteolin 7-O-β-D-glucosiduronate(2−) (CHEBI:77671) |
| luteolin 7-O-β-D-glucosiduronate (CHEBI:58385) is conjugate base of luteolin 7-O-β-D-glucosiduronic acid (CHEBI:18128) |
| Incoming Relation(s) |
| luteolin 7-O-β-D-glucosiduronic acid (CHEBI:18128) is conjugate acid of luteolin 7-O-β-D-glucosiduronate (CHEBI:58385) |
| luteolin 7-O-β-D-glucosiduronate(2−) (CHEBI:77671) is conjugate base of luteolin 7-O-β-D-glucosiduronate (CHEBI:58385) |
| IUPAC Name |
|---|
| 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl β-D-glucopyranosiduronate |
| Synonyms | Source |
|---|---|
| luteolin 7-O-β-D-glucosiduronate(1−) | ChEBI |
| luteolin 7-O-β-D-glucosiduronate anion | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LUTEOLIN-7-O-BETA-D-GLUCURONIDE | MetaCyc |