| Name |
Gentiocyanin B
Cyanidin 3-glucoside-5,3'-di-(caffeoylglucoside) |
| Formula |
C51H53O27 |
| Mw |
1097.27742149 |
| CAS RN |
170663-60-2 |
| C_ID |
C00006857
, 
|
| InChIKey |
FRDGOYDIONPUGI-LSNSICFPNA-O |
| InChICode |
InChI=1S/C51H52O27/c52-17-34-39(61)42(64)45(67)51(76-34)75-33-16-24-30(14-23(53)15-31(24)73-49-46(68)43(65)40(62)35(77-49)18-70-37(59)9-3-20-1-6-25(54)28(57)11-20)72-48(33)22-5-8-27(56)32(13-22)74-50-47(69)44(66)41(63)36(78-50)19-71-38(60)10-4-21-2-7-26(55)29(58)12-21/h1-16,34-36,39-47,49-52,61-69H,17-19H2,(H5-,53,54,55,56,57,58,59,60)/p+1/t34-,35+,36+,39+,40+,41+,42+,43-,44-,45-,46+,47-,49+,50+,51+/m0/s1 |
| SMILES |
O=C(/C=C/c1ccc(O)c(O)c1)OCC1O[C@@H](Oc2cc(-c3[o+]c4cc(O)cc(O[C@@H]5OC(COC(=O)/C=C/c6ccc(O)c(O)c6)[C@@H](O)[C@H](O)C5O)c4cc3O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)ccc2O)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
| Organism | Gentiana sp. |
|---|
| Reference | Harborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins
Hosokawa,Phytochem.,40,(1995),941 |
|---|
|
