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CHEBI:168967 - Delphinidin 3,5-di(6-acetylglucoside)
| Formula | C31H35O19 |
| Net Charge | +1 |
| Average Mass | 711.602 |
| Monoisotopic Mass | 711.17671 |
| SMILES | CC(=O)OCC1O[C@@H](Oc2cc3c(O[C@@H]4OC(COC(C)=O)[C@@H](O)[C@H](O)C4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(O)C(O)[C@@H]1O |
| InChI | InChI=1S/C31H34O19/c1-10(32)44-8-20-23(38)25(40)27(42)30(49-20)47-18-6-13(34)5-17-14(18)7-19(29(46-17)12-3-15(35)22(37)16(36)4-12)48-31-28(43)26(41)24(39)21(50-31)9-45-11(2)33/h3-7,20-21,23-28,30-31,38-43H,8-9H2,1-2H3,(H3-,34,35,36,37)/p+1/t20?,21?,23-,24-,25+,26?,27?,28?,30-,31-/m1/s1 |
| InChIKey | KCSOXZNFQZDAHM-HPYLGJNRSA-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) |
| Delphinidin 3,5-di(6-acetylglucoside) (CHEBI:168967) is a anthocyanidin glycoside (CHEBI:71583) |
| IUPAC Name |
|---|
| [(3S,4S,6S)-6-[3-[(2S,5S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
| Manual Xrefs | Databases |
|---|---|
| 24842342 | ChemSpider |
| LMPK12010295 | LIPID MAPS |