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CHEBI:191906 - quercetin 3-rutinoside-7-glucuronide
| Formula | C33H38O22 |
| Net Charge | 0 |
| Average Mass | 786.645 |
| Monoisotopic Mass | 786.18547 |
| 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](C(=O)O)[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/C33H38O22/c1-8-17(37)20(40)24(44)31(50-8)49-7-15-18(38)21(41)25(45)33(53-15)54-28-19(39)16-13(36)5-10(51-32-26(46)22(42)23(43)29(55-32)30(47)48)6-14(16)52-27(28)9-2-3-11(34)12(35)4-9/h2-6,8,15,17-18,20-26,29,31-38,40-46H,7H2,1H3,(H,47,48)/t8-,15+,17-,18+,20+,21-,22-,23-,24+,25+,26+,29-,31+,32+,33-/m0/s1 |
| InChIKey | NYEMNXLOIMNTDU-YEWWWMHDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | blood serum (BTO:0000133) | MetaboLights (MTBLS4638) | |
| Tulipa gesneriana (ncbitaxon:13306) | perianth (BTO:0001727) | DOI (10.1016/0031-9422(91)84233-I) |
| 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-glucuronide (CHEBI:191906) has functional parent quercetin (CHEBI:16243) |
| quercetin 3-rutinoside-7-glucuronide (CHEBI:191906) has role plant metabolite (CHEBI:76924) |
| quercetin 3-rutinoside-7-glucuronide (CHEBI:191906) is a quercetin O-glucoside (CHEBI:64621) |
| quercetin 3-rutinoside-7-glucuronide (CHEBI:191906) is a rutinoside (CHEBI:26587) |
| quercetin 3-rutinoside-7-glucuronide (CHEBI:191906) is a trihydroxyflavone (CHEBI:27116) |
| quercetin 3-rutinoside-7-glucuronide (CHEBI:191906) is a β-D-glucosiduronic acid (CHEBI:15341) |
| 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-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| 3,5,7,3',4'-pentahydroxyflavone 3-rutinoside-7-glucuronide | ChEBI |
| quercetin 3-O-rutinoside-7-O-glucuronide | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 115270042 | ChemSpider |
| C00005474 | KNApSAcK |
| LMPK12112128 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| CAS:135093-72-0 | KNApSAcK |