| Name |
Cyanidin 3-rutinoside-5,3'-diglucoside |
| Formula |
C39H51O25 |
| Mw |
919.27194218 |
| CAS RN |
|
| C_ID |
C00006677
, 
|
| InChIKey |
YQJZOOPKXKKTGM-DZRYUQSBNA-O |
| InChICode |
InChI=1S/C39H50O25/c1-11-23(44)27(48)31(52)36(57-11)56-10-22-26(47)30(51)34(55)39(64-22)61-19-7-14-16(5-13(42)6-17(14)59-37-32(53)28(49)24(45)20(8-40)62-37)58-35(19)12-2-3-15(43)18(4-12)60-38-33(54)29(50)25(46)21(9-41)63-38/h2-7,11,20-34,36-41,44-55H,8-10H2,1H3,(H-,42,43)/p+1/t11-,20+,21-,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32+,33+,34+,36+,37+,38+,39+/m0/s1 |
| SMILES |
CC1O[C@@H](OCC2O[C@@H](Oc3cc4c(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3ccc(O)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Bromeliaceae | Billbergia buchholtzii | Ref. |
|
|
zoom in
| Organism | Billbergia buchholtzii |
|---|
| Reference | Harborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins
Ssaito,Phytochem.,22,(1983),1735 |
|---|
|
