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CHEBI:184180 - Pelargonidin 3,5-di-(6-acetylglucoside)
| Formula | C31H35O17 |
| Net Charge | +1 |
| Average Mass | 679.604 |
| Monoisotopic Mass | 679.18688 |
| 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-c2ccc(O)cc2)C(O)C(O)[C@@H]1O |
| InChI | InChI=1S/C31H34O17/c1-12(32)42-10-21-23(36)25(38)27(40)30(47-21)45-19-8-16(35)7-18-17(19)9-20(29(44-18)14-3-5-15(34)6-4-14)46-31-28(41)26(39)24(37)22(48-31)11-43-13(2)33/h3-9,21-28,30-31,36-41H,10-11H2,1-2H3,(H-,34,35)/p+1/t21?,22?,23-,24-,25+,26?,27?,28?,30-,31-/m1/s1 |
| InChIKey | MKERTHRUMOZXAQ-PNTQANCPSA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | serum (BTO:0001239) | MetaboLights (MTBLS3725) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pelargonidin 3,5-di-(6-acetylglucoside) (CHEBI:184180) 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-(4-hydroxyphenyl)chromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
| Manual Xrefs | Databases |
|---|---|
| 24842092 | ChemSpider |
| LMPK12010045 | LIPID MAPS |