| Name |
Cyanidin 3-(6''-caffeylsophoroside)-5-glucoside |
| Formula |
C42H47O24 |
| Mw |
935.24572743 |
| CAS RN |
36618-57-2,164864-59-9,81360-21-6 |
| C_ID |
C00006843
, 
|
| InChIKey |
OUIUOTNTXCBQGM-WSRMIXNTNA-O |
| InChICode |
InChI=1S/C42H46O24/c43-12-26-30(51)33(54)36(57)40(63-26)61-24-10-17(45)9-23-18(24)11-25(38(60-23)16-3-5-20(47)22(49)8-16)62-42-39(66-41-37(58)34(55)31(52)27(13-44)64-41)35(56)32(53)28(65-42)14-59-29(50)6-2-15-1-4-19(46)21(48)7-15/h1-11,26-28,30-37,39-44,51-58H,12-14H2,(H4-,45,46,47,48,49,50)/p+1/t26-,27+,28+,30+,31+,32+,33-,34-,35+,36+,37+,39+,40+,41-,42+/m0/s1 |
| SMILES |
c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)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 | Convolvulaceae | Ipomoea batatas  | Ref. |
| Plantae | Convolvulaceae | Ipomoea cairica | Ref. |
| Plantae | Convolvulaceae | Ipomoea purpurea | Ref. |
|
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