| Name |
Cyanidin 3-(6''-malonylsophoroside)-5-glucoside |
| Formula |
C36H43O24 |
| Mw |
859.21442731 |
| CAS RN |
63003-09-8,117829-27-3 |
| C_ID |
C00006841
, 
|
| InChIKey |
ASCBTZBIOSPIRQ-QSYBSMFJNA-O |
| InChICode |
InChI=1S/C36H42O24/c37-8-19-24(45)27(48)30(51)34(57-19)55-17-5-12(39)4-16-13(17)6-18(32(54-16)11-1-2-14(40)15(41)3-11)56-36-33(60-35-31(52)28(49)25(46)20(9-38)58-35)29(50)26(47)21(59-36)10-53-23(44)7-22(42)43/h1-6,19-21,24-31,33-38,45-52H,7-10H2,(H3-,39,40,41,42,43)/p+1/t19-,20-,21-,24-,25-,26-,27+,28+,29-,30+,31-,33-,34-,35+,36-/m1/s1 |
| SMILES |
O=C(O)CC(=O)OCC1O[C@@H](Oc2cc3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Brassica oleracea  | Ref. |
|
|
zoom in
| Organism | Brassica oleracea |
|---|
| Reference | Harborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins
Hrazdina,Phytochem.,16,(1977),297
Ikeda,Chem.Abstr.,110,(1989),8589 |
|---|
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