| Name |
Gentiocyanin A
Cyanidin 3-glucoside-5-(6-caffeoylglucoside) |
| Formula |
C36H37O19 |
| Mw |
773.192904 |
| CAS RN |
170663-59-9 |
| C_ID |
C00006822
, 
|
| InChIKey |
DBWNTBWELCRVQD-MMSBAWPBNA-O |
| InChICode |
InChI=1S/C36H36O19/c37-12-25-28(44)30(46)32(48)36(54-25)53-24-11-17-22(51-34(24)15-3-5-19(40)21(42)8-15)9-16(38)10-23(17)52-35-33(49)31(47)29(45)26(55-35)13-50-27(43)6-2-14-1-4-18(39)20(41)7-14/h1-11,25-26,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1/t25-,26-,28-,29-,30-,31+,32-,33+,35-,36-/m1/s1 |
| SMILES |
O=C(/C=C/c1ccc(O)c(O)c1)OCC1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)c(O)c4)c(O[C@@H]4OC(CO)[C@@H](O)C(O)C4O)cc23)C(O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Gentianaceae | Gentiana sp. | Ref. |
|
|
zoom in
|
