| Name |
Cyanidin 3-(6''-caffeyl-2'''-sinapylsambubioside)-5-(6-malonylglucoside) |
| Formula |
C55H57O30 |
| Mw |
1197.29346549 |
| CAS RN |
163812-23-5 |
| C_ID |
C00006839
, 
|
| InChIKey |
UDNNIZSPJILZFJ-JICMPABDNA-O |
| InChICode |
InChI=1S/C55H56O30/c1-74-34-12-23(13-35(75-2)44(34)68)5-10-41(65)84-51-43(67)31(61)19-78-54(51)85-52-48(72)46(70)38(20-76-40(64)9-4-22-3-7-27(57)29(59)11-22)83-55(52)81-36-17-26-32(79-50(36)24-6-8-28(58)30(60)14-24)15-25(56)16-33(26)80-53-49(73)47(71)45(69)37(82-53)21-77-42(66)18-39(62)63/h3-17,31,37-38,43,45-49,51-55,61,67,69-73H,18-21H2,1-2H3,(H6-,56,57,58,59,60,62,63,64,65,68)/p+1/t31-,37-,38-,43+,45-,46-,47+,48+,49-,51-,52-,53-,54+,55-/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/c1ccc(c(c1)O)O)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)COC(=O)CC(=O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Matthiola incana  | Ref. |
|
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