| Name |
Cyanidin 3-(6''-ferulyl-2'''-sinapylsambubioside)-5-glucoside |
| Formula |
C53H57O27 |
| Mw |
1125.30872162 |
| CAS RN |
163812-24-6 |
| C_ID |
C00006837
, 
|
| InChIKey |
VYROXVUTZWOIEB-UHFFFAOYNA-O |
| InChICode |
InChI=1S/C53H56O27/c1-69-33-12-22(4-8-28(33)57)5-10-39(60)72-21-38-44(65)46(67)50(80-52-49(41(62)30(59)20-73-52)79-40(61)11-6-23-13-34(70-2)42(63)35(14-23)71-3)53(78-38)76-36-18-26-31(74-48(36)24-7-9-27(56)29(58)15-24)16-25(55)17-32(26)75-51-47(68)45(66)43(64)37(19-54)77-51/h4-18,30,37-38,41,43-47,49-54,59,62,64-68H,19-21H2,1-3H3,(H4-,55,56,57,58,60,61,63)/p+1/t30-,37-,38-,41+,43-,44-,45+,46+,47-,49+,50-,51-,52+,53-/m1/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)OC)O)O)O[C@H]1[C@H]([C@H]([C@@H](CO1)O)O)OC(=O)/C=C/c1cc(c(c(c1)OC)O)OC)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 | Cruciferae | Matthiola incana  | Ref. |
|
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