EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H28O15 |
| Net Charge | 0 |
| Average Mass | 580.495 |
| Monoisotopic Mass | 580.14282 |
| SMILES | [H][C@@]1(O[C@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)OC[C@H](O)[C@@H]2O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |
| InChI | InChI=1S/C26H28O15/c1-8-17(32)20(35)21(36)25(38-8)41-24-18(33)14(31)7-37-26(24)40-23-19(34)16-13(30)5-10(27)6-15(16)39-22(23)9-2-3-11(28)12(29)4-9/h2-6,8,14,17-18,20-21,24-33,35-36H,7H2,1H3/t8-,14-,17-,18-,20+,21+,24+,25-,26-/m0/s1 |
| InChIKey | IKTXLMAFUIXYTI-BSMATJIKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Brassica nigra (ncbitaxon:3710) | - | PubMed (21861458) |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| quercetin 3-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside (CHEBI:69379) has role plant metabolite (CHEBI:76924) |
| quercetin 3-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside (CHEBI:69379) is a disaccharide derivative (CHEBI:63353) |
| quercetin 3-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside (CHEBI:69379) is a quercetin O-glycoside (CHEBI:76424) |
| quercetin 3-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside (CHEBI:69379) is a tetrahydroxyflavone (CHEBI:38684) |
| IUPAC Name |
|---|
| 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranoside |
| Registry Numbers | Sources |
|---|---|
| Reaxys:21897852 | Reaxys |
| Citations |
|---|