| Name |
Cyanidin 3-(6''-p-coumaryl-2'''-sinapylsambubioside)-5-(6-malonylglucoside) |
| Formula |
C55H57O29 |
| Mw |
1181.29855086 |
| CAS RN |
163812-22-4 |
| C_ID |
C00006838
, 
|
| InChIKey |
MAKMINQMKSULBY-UHFFFAOYNA-O |
| InChICode |
InChI=1S/C55H56O29/c1-73-34-13-24(14-35(74-2)44(34)67)6-12-41(64)83-51-43(66)31(60)20-77-54(51)84-52-48(71)46(69)38(21-75-40(63)11-5-23-3-8-26(56)9-4-23)82-55(52)80-36-18-28-32(78-50(36)25-7-10-29(58)30(59)15-25)16-27(57)17-33(28)79-53-49(72)47(70)45(68)37(81-53)22-76-42(65)19-39(61)62/h3-18,31,37-38,43,45-49,51-55,60,66,68-72H,19-22H2,1-2H3,(H5-,56,57,58,59,61,62,63,64,67)/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(cc1)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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