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CHEBI:182702 - quercetin 3-rutinoside-7-galactoside
| Formula | C33H40O21 |
| Net Charge | 0 |
| Average Mass | 772.662 |
| Monoisotopic Mass | 772.20621 |
| SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20-,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1 |
| InChIKey | SPUFXPFDJYNCFD-LVCBHMBESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Roystonea regia (ncbitaxon:145709) | - | DOI (10.1016/0031-9422(73)80449-2) | Species also known as Oreodoxa regia. |
| 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-rutinoside-7-galactoside (CHEBI:182702) has functional parent quercetin (CHEBI:16243) |
| quercetin 3-rutinoside-7-galactoside (CHEBI:182702) has role plant metabolite (CHEBI:76924) |
| quercetin 3-rutinoside-7-galactoside (CHEBI:182702) is a rutinoside (CHEBI:26587) |
| quercetin 3-rutinoside-7-galactoside (CHEBI:182702) is a trihydroxyflavone (CHEBI:27116) |
| quercetin 3-rutinoside-7-galactoside (CHEBI:182702) is a β-D-galactoside (CHEBI:28034) |
| IUPAC Name |
|---|
| 3-{[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl β-D-galactopyranoside |
| Synonyms | Source |
|---|---|
| 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-galactopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one | CAS |
| quercetin 3-O-rutinoside-7-O-galactoside | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C00005471 | KNApSAcK |
| FDB017129 | FooDB |
| HMDB0037957 | HMDB |
| LMPK12112125 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| CAS:50867-29-3 | CAS |