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CHEBI:177107 - Cyanidin 3-(2G-xylosylrutinoside)
| Formula | C32H39O19 |
| Net Charge | +1 |
| Average Mass | 727.645 |
| Monoisotopic Mass | 727.20801 |
| SMILES | CC1O[C@@H](OCC2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)C(O[C@@H]3OC[C@@H](O)C(O)[C@H]3O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O |
| InChI | InChI=1S/C32H38O19/c1-10-21(38)24(41)27(44)30(47-10)46-9-20-23(40)25(42)29(51-31-26(43)22(39)17(37)8-45-31)32(50-20)49-19-7-13-15(35)5-12(33)6-18(13)48-28(19)11-2-3-14(34)16(36)4-11/h2-7,10,17,20-27,29-32,37-44H,8-9H2,1H3,(H3-,33,34,35,36)/p+1/t10?,17-,20?,21+,22?,23-,24+,25?,26-,27?,29?,30-,31+,32-/m1/s1 |
| InChIKey | ZSWXIMXLLJRVFT-HGUBBEBESA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bos grunniens (ncbitaxon:30521) | subcutaneous adipose tissue (BTO:0004042) | Article |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cyanidin 3-(2G-xylosylrutinoside) (CHEBI:177107) is a anthocyanidin glycoside (CHEBI:71583) |
| IUPAC Name |
|---|
| (2R,4S,5R)-2-[[(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]methoxy]-6-methyloxane-3,4,5-triol |
| Manual Xrefs | Databases |
|---|---|
| 24842171 | ChemSpider |
| LMPK12010124 | LIPID MAPS |