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CHEBI:234346 - ombuoside
| Formula | C29H34O16 |
| Net Charge | 0 |
| Average Mass | 638.575 |
| Monoisotopic Mass | 638.18469 |
| SMILES | COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(OC)c(O)c3)oc2c1 |
| InChI | InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-15(40-3)13(30)6-11/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1 |
| InChIKey | VVSFMIXQNYRGMG-BDAFLREQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Gynostemma pentaphyllum (ncbitaxon:182084) | aerial part (BTO:0001658) | PubMed (2619894) | |
| Stevia triflora (ncbitaxon:558519) | aerial part (BTO:0001658) | PubMed (9453171) | |
| Dobinea delavayi (ncbitaxon:481551) | Root (BTO:0001188) | PubMed (34702089) | |
| Ebenus pinnata (ncbitaxon:754876) | aerial part (BTO:0001658) | PubMed (17067757) | |
| Polygala inexpectata (IPNI:691622-1) | whole plant (BTO:0001461) | PubMed (35163950) |
| Roles Classification |
|---|
| Chemical Role: | radical scavenger A role played by a substance that can react readily with, and thereby eliminate, radicals. |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. |
| Application: | neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ombuoside (CHEBI:234346) has functional parent ombuin (CHEBI:67493) |
| ombuoside (CHEBI:234346) has functional parent rutinose (CHEBI:27522) |
| ombuoside (CHEBI:234346) has role antibacterial agent (CHEBI:33282) |
| ombuoside (CHEBI:234346) has role neuroprotective agent (CHEBI:63726) |
| ombuoside (CHEBI:234346) has role plant metabolite (CHEBI:76924) |
| ombuoside (CHEBI:234346) has role radical scavenger (CHEBI:48578) |
| ombuoside (CHEBI:234346) is a dihydroxyflavone (CHEBI:38686) |
| ombuoside (CHEBI:234346) is a dimethoxyflavone (CHEBI:23798) |
| ombuoside (CHEBI:234346) is a disaccharide derivative (CHEBI:63353) |
| ombuoside (CHEBI:234346) is a glycosyloxyflavone (CHEBI:50018) |
| ombuoside (CHEBI:234346) is a rutinoside (CHEBI:26587) |
| IUPAC Name |
|---|
| 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| ombuin 3-O-rutinoside | ChEBI |
| 7,4-di-O-methylquercetin-3-O-β-rutinoside | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMPK12112647 | LIPID MAPS |
| C00005616 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| CAS:20188-85-6 | KNApSAcK |
| Citations |
|---|