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CHEBI:180830 - Peonidin 3-(6''-p-coumaroyl-glucoside) 5-glucoside
| Formula | C37H39O18 |
| Net Charge | +1 |
| Average Mass | 771.701 |
| Monoisotopic Mass | 771.21309 |
| SMILES | COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O |
| InChI | InChI=1S/C37H38O18/c1-49-24-10-17(5-8-21(24)41)35-25(13-20-22(51-35)11-19(40)12-23(20)52-36-33(47)31(45)29(43)26(14-38)54-36)53-37-34(48)32(46)30(44)27(55-37)15-50-28(42)9-4-16-2-6-18(39)7-3-16/h2-13,26-27,29-34,36-38,43-48H,14-15H2,1H3,(H2-,39,40,41,42)/p+1/t26-,27-,29-,30-,31+,32+,33-,34-,36-,37-/m1/s1 |
| InChIKey | YOBDYPINTRIHCR-OTOOEMNYSA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood serum (BTO:0000133) | MetaboLights (MTBLS2150) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Peonidin 3-(6''-p-coumaroyl-glucoside) 5-glucoside (CHEBI:180830) is a anthocyanidin glycoside (CHEBI:71583) |
| IUPAC Name |
|---|
| 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-({6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl}oxy)chromenium-5-yl β-D-glucopyranoside |
| Manual Xrefs | Databases |
|---|---|
| 115269058 | ChemSpider |
| HMDB0038092 | HMDB |