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CHEBI:169384 - Pelargonidin 3-(6''-succinylglucoside)-5-glucoside
| Formula | C31H35O18 |
| Net Charge | +1 |
| Average Mass | 695.603 |
| Monoisotopic Mass | 695.18179 |
| SMILES | O=C(O)CCC(=O)OCC1O[C@@H](Oc2cc3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O)C(O)[C@@H]1O |
| InChI | InChI=1S/C31H34O18/c32-10-19-23(38)25(40)27(42)30(48-19)46-17-8-14(34)7-16-15(17)9-18(29(45-16)12-1-3-13(33)4-2-12)47-31-28(43)26(41)24(39)20(49-31)11-44-22(37)6-5-21(35)36/h1-4,7-9,19-20,23-28,30-32,38-43H,5-6,10-11H2,(H2-,33,34,35,36)/p+1/t19?,20?,23-,24-,25+,26?,27?,28?,30-,31-/m1/s1 |
| InChIKey | WEDQIJAUFIWMNC-AQEAGXJDSA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pelargonidin 3-(6''-succinylglucoside)-5-glucoside (CHEBI:169384) is a anthocyanidin glycoside (CHEBI:71583) |
| IUPAC Name |
|---|
| 4-oxo-4-[[(3S,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]butanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 24842087 | ChemSpider |
| LMPK12010040 | LIPID MAPS |