| Name |
Cyanidin 3-(6''-ferulyl-2'''-sinapylsambubioside)-5-(6-malonylglucoside) |
| Formula |
C56H59O30 |
| Mw |
1211.30911555 |
| CAS RN |
163812-21-3 |
| C_ID |
C00006840
, 
|
| InChIKey |
CJGMMNTVAMNBRH-DMOIHLCHNA-O |
| InChICode |
InChI=1S/C56H58O30/c1-74-34-12-23(4-8-29(34)59)5-10-41(64)77-21-39-47(70)49(72)53(86-55-52(44(67)31(61)20-79-55)85-42(65)11-6-24-13-35(75-2)45(68)36(14-24)76-3)56(84-39)82-37-18-27-32(80-51(37)25-7-9-28(58)30(60)15-25)16-26(57)17-33(27)81-54-50(73)48(71)46(69)38(83-54)22-78-43(66)19-40(62)63/h4-18,31,38-39,44,46-50,52-56,61,67,69-73H,19-22H2,1-3H3,(H5-,57,58,59,60,62,63,64,65,68)/p+1/t31-,38+,39-,44-,46-,47-,48+,49-,50+,52-,53-,54-,55-,56-/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OCC2O[C@@H](Oc3cc4c(O[C@@H]5OC(COC(=O)CC(=O)O)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)C3OC(=O)/C=C/c3cc(OC)c(O)c(OC)c3)C(O)[C@@H]2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Matthiola incana  | Ref. |
|
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