| Name |
Cyanidin 3-O-[2''-O-(xylosyl)-6''-O-(p-O-(glucosyl)-p-coumaroyl) glucoside] 5-O-glucoside |
| Formula |
C47H55O27 |
| Mw |
1051.29307156 |
| CAS RN |
|
| C_ID |
C00007658
, 
|
| InChIKey |
OPWPCWHMCUWCGG-FTFPRLBJNA-O |
| InChICode |
InChI=1S/C47H54O27/c48-13-28-33(56)36(59)40(63)45(71-28)67-20-5-1-17(2-6-20)3-8-31(54)65-16-30-35(58)38(61)43(74-44-39(62)32(55)24(53)15-66-44)47(73-30)70-27-12-21-25(68-42(27)18-4-7-22(51)23(52)9-18)10-19(50)11-26(21)69-46-41(64)37(60)34(57)29(14-49)72-46/h1-12,24,28-30,32-41,43-49,53,55-64H,13-16H2,(H2-,50,51,52)/p+1/b8-3+/t24-,28+,29+,30+,32-,33+,34+,35+,36+,37+,38-,39-,40-,41-,43-,44-,45+,46+,47+/m0/s1 |
| SMILES |
O=C(/C=C/c1ccc(O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)cc1)OCC1O[C@@H](Oc2cc3c(O[C@@H]4OC(CO)[C@@H](O)C(O)[C@@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)C2O)C(O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Arabidopsis thaliana | Ref. |
|
|
zoom in
|
