| Name |
2-(3,4-Dihydroxyphenyl)-3-[[2-O-beta-D-glucopyranosyl-6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-(beta-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium |
| Formula |
C44H51O25.Cl |
| Mw |
1014.24079489 |
| CAS RN |
107480-91-1 |
| C_ID |
C00059095
|
| InChIKey |
XJGPBVYILJWPRU-JBMNSFKASA-N |
| InChICode |
InChI=1S/C44H50O25.ClH/c1-60-24-7-16(8-25(61-2)31(24)51)3-6-30(50)62-15-29-34(54)37(57)41(69-43-39(59)36(56)33(53)28(14-46)67-43)44(68-29)65-26-12-19-22(63-40(26)17-4-5-20(48)21(49)9-17)10-18(47)11-23(19)64-42-38(58)35(55)32(52)27(13-45)66-42;/h3-12,27-29,32-39,41-46,52-59H,13-15H2,1-2H3,(H3-,47,48,49,50,51);1H/t27-,28-,29-,32-,33-,34-,35+,36+,37+,38-,39-,41-,42-,43+,44-;/m1./s1 |
| SMILES |
COc1cc(C=CC(=O)OCC2OC(Oc3cc4c(OC5OC(CO)C(O)C(O)C5O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)cc(OC)c1O.[Cl-] |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Brassica oleracea  | Ref. |
|
|
zoom in
| Organism | Brassica oleracea |
|---|
| Reference | https://doi.org/10.1246/cl.1987.145 |
|---|
|
