| Name |
Cyanidin 3-(4'''-caffeylrutinoside)-5-glucoside |
| Formula |
C42H47O23 |
| Mw |
919.25081281 |
| CAS RN |
62024-15-1 |
| C_ID |
C00006856
, 
|
| InChIKey |
ZKKZXJHFKFTOPC-UHFFFAOYNA-O |
| InChICode |
InChI=1S/C42H46O23/c1-15-38(65-29(49)7-3-16-2-5-20(45)22(47)8-16)34(54)37(57)40(59-15)58-14-28-31(51)33(53)36(56)42(64-28)62-26-12-19-24(60-39(26)17-4-6-21(46)23(48)9-17)10-18(44)11-25(19)61-41-35(55)32(52)30(50)27(13-43)63-41/h2-12,15,27-28,30-38,40-43,50-57H,13-14H2,1H3,(H4-,44,45,46,47,48,49)/p+1/t15-,27-,28-,30-,31-,32+,33-,34-,35+,36+,37-,38+,40-,41-,42-/m1/s1 |
| SMILES |
c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)OC(=O)/C=C/c1ccc(c(c1)O)O)O)O)O)O)O)c1ccc(c(c1)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Silene dioica | Ref. |
|
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