| Name |
Cyanidin 3-[6''-(4-glucosylferulyl)-sophoroside]-5-glucoside |
| Formula |
C49H59O29 |
| Mw |
1111.31420093 |
| CAS RN |
107500-83-4 |
| C_ID |
C00006848
, 
|
| InChIKey |
DYGVXLHJKPMICV-NCSWUFQYNA-O |
| InChICode |
InChI=1S/C49H58O29/c1-68-26-8-17(2-6-23(26)71-46-41(65)37(61)33(57)28(13-50)74-46)3-7-32(56)69-16-31-36(60)40(64)45(78-48-43(67)39(63)35(59)30(15-52)76-48)49(77-31)73-27-12-20-24(70-44(27)18-4-5-21(54)22(55)9-18)10-19(53)11-25(20)72-47-42(66)38(62)34(58)29(14-51)75-47/h2-12,28-31,33-43,45-52,57-67H,13-16H2,1H3,(H2-,53,54,55)/p+1/b7-3+/t28-,29-,30+,31+,33-,34-,35-,36-,37+,38+,39+,40-,41-,42+,43-,45-,46-,47-,48+,49-/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OCC2O[C@@H](Oc3cc4c(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C(O)[C@@H]2O)ccc1O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Brassica oleracea  | Ref. |
|
|
zoom in
|
