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CHEBI:188136 - Peonidin 3-glucoside-5-(6''-acetylglucoside)
| Formula | C30H35O17 |
| Net Charge | +1 |
| Average Mass | 667.593 |
| Monoisotopic Mass | 667.18688 |
| SMILES | COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4OC(COC(C)=O)[C@@H](O)[C@H](O)C4O)c3cc2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)ccc1O |
| InChI | InChI=1S/C30H34O17/c1-11(32)42-10-21-23(36)25(38)27(40)29(47-21)44-17-7-13(33)6-16-14(17)8-19(28(43-16)12-3-4-15(34)18(5-12)41-2)45-30-26(39)24(37)22(35)20(9-31)46-30/h3-8,20-27,29-31,35-40H,9-10H2,1-2H3,(H-,33,34)/p+1/t20?,21?,22-,23-,24+,25+,26?,27?,29-,30-/m1/s1 |
| InChIKey | VVZKXWGDULSESF-QXQVUWIBSA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000131) | MetaboLights (MTBLS2224) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Peonidin 3-glucoside-5-(6''-acetylglucoside) (CHEBI:188136) is a anthocyanidin glycoside (CHEBI:71583) |
| IUPAC Name |
|---|
| [(3S,4S,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxyoxan-2-yl]methyl acetate |
| Manual Xrefs | Databases |
|---|---|
| 24842307 | ChemSpider |
| LMPK12010260 | LIPID MAPS |