| Name |
7-[(4-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| Formula |
C49H58O29 |
| Mw |
1110.3063759 |
| CAS RN |
220342-44-9 |
| C_ID |
C00060829
|
| InChIKey |
KFEVJAZSURUKLX-OERGWRPSSA-N |
| InChICode |
InChI=1S/C49H58O29/c1-68-23-10-17(2-8-21(23)55)3-9-29(57)75-44-36(63)32(59)26(14-51)72-48(44)78-45-37(64)33(60)27(15-52)73-49(45)77-43-34(61)30-22(56)11-20(12-24(30)70-41(43)18-4-6-19(54)7-5-18)69-46-40(67)38(65)42(28(16-53)74-46)76-47-39(66)35(62)31(58)25(13-50)71-47/h2-12,25-28,31-33,35-40,42,44-56,58-60,62-67H,13-16H2,1H3/b9-3+/t25-,26-,27-,28-,31-,32-,33-,35+,36+,37+,38-,39-,40-,42-,44-,45-,46-,47+,48+,49+/m1/s1 |
| SMILES |
COc1cc(C=CC(=O)OC2C(OC3C(Oc4c(-c5ccc(O)cc5)oc5cc(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)cc(O)c5c4=O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)ccc1O |
| 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/10.1016/S0031-9422(98)00422-1 |
|---|
|
