| Name |
Cyanidin 3-[6''-(4-glucosyl-p-coumaryl)sophoroside]-5-glucoside |
| Formula |
C48H57O28 |
| Mw |
1081.30363624 |
| CAS RN |
|
| C_ID |
C00006846
, 
|
| InChIKey |
JSIMVXMJRFINRS-MBUYWIFKNA-O |
| InChICode |
InChI=1S/C48H56O28/c49-13-27-32(56)36(60)40(64)45(72-27)68-20-5-1-17(2-6-20)3-8-31(55)67-16-30-35(59)39(63)44(76-47-42(66)38(62)34(58)29(15-51)74-47)48(75-30)71-26-12-21-24(69-43(26)18-4-7-22(53)23(54)9-18)10-19(52)11-25(21)70-46-41(65)37(61)33(57)28(14-50)73-46/h1-12,27-30,32-42,44-51,56-66H,13-16H2,(H2-,52,53,54)/p+1/b8-3+/t27-,28+,29-,30+,32-,33-,34-,35-,36+,37+,38+,39-,40+,41+,42+,44-,45-,46-,47+,48-/m1/s1 |
| SMILES |
O=C(/C=C/c1ccc(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc1)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
Idaka,Chem.Lett.,(1987),145 |
|---|
|
