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CHEBI:183044 - Cyanidin 3-(6''-p-coumarylsambubioside)
| Formula | C35H35O17 |
| Net Charge | +1 |
| Average Mass | 727.648 |
| Monoisotopic Mass | 727.18688 |
| SMILES | O=C(/C=C/c1ccc(O)cc1)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O[C@@H]2OC[C@@H](O)C(O)[C@H]2O)C(O)[C@@H]1O |
| InChI | InChI=1S/C35H34O17/c36-17-5-1-15(2-6-17)3-8-27(42)47-14-26-29(44)30(45)33(52-34-31(46)28(43)23(41)13-48-34)35(51-26)50-25-12-19-21(39)10-18(37)11-24(19)49-32(25)16-4-7-20(38)22(40)9-16/h1-12,23,26,28-31,33-35,41,43-46H,13-14H2,(H4-,36,37,38,39,40,42)/p+1/t23-,26?,28?,29-,30?,31-,33?,34+,35-/m1/s1 |
| InChIKey | KMIJRKZNTFVLAI-XSXUGFHCSA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rattus norvegicus (ncbitaxon:10116) | Esophagus (BTO:0000959) | MetaboLights (MTBLS3014) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cyanidin 3-(6''-p-coumarylsambubioside) (CHEBI:183044) is a anthocyanidin glycoside (CHEBI:71583) |
| IUPAC Name |
|---|
| [(3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| Manual Xrefs | Databases |
|---|---|
| 24842188 | ChemSpider |
| LMPK12010141 | LIPID MAPS |