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CHEBI:188123 - Peonidin 3-(6'-malonylglucoside)-5-glucoside
| Formula | C31H35O19 |
| Net Charge | +1 |
| Average Mass | 711.602 |
| Monoisotopic Mass | 711.17671 |
| SMILES | COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3cc2O[C@@H]2OC(COC(=O)CC(=O)O)[C@@H](O)C(O)C2O)ccc1O |
| InChI | InChI=1S/C31H34O19/c1-44-17-4-11(2-3-14(17)34)29-18(48-31-28(43)26(41)24(39)20(50-31)10-45-22(37)8-21(35)36)7-13-15(46-29)5-12(33)6-16(13)47-30-27(42)25(40)23(38)19(9-32)49-30/h2-7,19-20,23-28,30-32,38-43H,8-10H2,1H3,(H2-,33,34,35,36)/p+1/t19?,20?,23-,24-,25+,26?,27?,28?,30-,31-/m1/s1 |
| InChIKey | AEMHVTCADJQUIP-AQEAGXJDSA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000131) | MetaboLights (MTBLS2224) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Peonidin 3-(6'-malonylglucoside)-5-glucoside (CHEBI:188123) is a anthocyanidin glycoside (CHEBI:71583) |
| IUPAC Name |
|---|
| 3-oxo-3-[[(3S,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]propanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 24842296 | ChemSpider |
| LMPK12010249 | LIPID MAPS |