| Name |
Cyanidin 3-[6''-(4-glucosylcaffeyl)sophoroside]-5-glucoside |
| Formula |
C48H57O29 |
| Mw |
1097.29855086 |
| CAS RN |
155961-88-9 |
| C_ID |
C00006847
, 
|
| InChIKey |
IMBSEWKSUWYDQJ-AMRRBWOGNA-O |
| InChICode |
InChI=1S/C48H56O29/c49-12-27-32(57)36(61)40(65)45(73-27)70-23-5-1-16(7-22(23)55)2-6-31(56)68-15-30-35(60)39(64)44(77-47-42(67)38(63)34(59)29(14-51)75-47)48(76-30)72-26-11-19-24(69-43(26)17-3-4-20(53)21(54)8-17)9-18(52)10-25(19)71-46-41(66)37(62)33(58)28(13-50)74-46/h1-11,27-30,32-42,44-51,57-67H,12-15H2,(H3-,52,53,54,55)/p+1/b6-2+/t27-,28-,29+,30+,32+,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,44+,45+,46+,47-,48+/m0/s1 |
| SMILES |
O=C(/C=C/c1ccc(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c(O)c1)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 | Convolvulaceae | Ipomoea nil  | Ref. |
|
|
zoom in
|
