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CHEBI:145766 - quercetin 3-O-gentiotetroside
| Formula | C39H50O27 |
| Net Charge | 0 |
| Average Mass | 950.802 |
| Monoisotopic Mass | 950.25395 |
| SMILES | O=c1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 |
| InChI | InChI=1S/C39H50O27/c40-6-16-21(45)26(50)30(54)36(62-16)58-7-17-22(46)27(51)31(55)37(63-17)59-8-18-23(47)28(52)32(56)38(64-18)60-9-19-24(48)29(53)33(57)39(65-19)66-35-25(49)20-14(44)4-11(41)5-15(20)61-34(35)10-1-2-12(42)13(43)3-10/h1-5,16-19,21-24,26-33,36-48,50-57H,6-9H2/t16-,17-,18-,19-,21-,22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33-,36-,37-,38-,39+/m1/s1 |
| InChIKey | DLIYOJUVMRMRGS-UMQUMIMUSA-N |
| 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-gentiotetroside (CHEBI:145766) has role plant metabolite (CHEBI:76924) |
| quercetin 3-O-gentiotetroside (CHEBI:145766) is a quercetin O-glucoside (CHEBI:64621) |
| quercetin 3-O-gentiotetroside (CHEBI:145766) is a tetrahydroxyflavone (CHEBI:38684) |
| quercetin 3-O-gentiotetroside (CHEBI:145766) is a tetrasaccharide derivative (CHEBI:63567) |
| IUPAC Name |
|---|
| 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside |
| Synonym | Source |
|---|---|
| quercetin-3-gentiotetraside | MetaCyc |
| Manual Xrefs | Databases |
|---|---|
| CPD-14822 | MetaCyc |
| Citations |
|---|