| Name |
2-[4-(beta-D-Glucopyranuronosyloxy)phenyl]-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl 2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranosiduronic acid |
| Formula |
C43H42O26 |
| Mw |
974.19643152 |
| CAS RN |
332422-32-9 |
| C_ID |
C00061468
|
| InChIKey |
CZVPDCXYEOPQOQ-SDKIOBCHSA-N |
| InChICode |
InChI=1S/C43H42O26/c1-61-22-10-14(2-8-18(22)44)3-9-24(47)65-36-30(52)28(50)35(40(59)60)68-43(36)69-37-31(53)29(51)34(39(57)58)67-42(37)63-17-11-19(45)25-20(46)13-21(64-23(25)12-17)15-4-6-16(7-5-15)62-41-32(54)26(48)27(49)33(66-41)38(55)56/h2-13,26-37,41-45,48-54H,1H3,(H,55,56)(H,57,58)(H,59,60)/b9-3+/t26-,27-,28-,29-,30-,31-,32+,33-,34-,35-,36+,37+,41+,42+,43-/m0/s1 |
| SMILES |
COc1cc(C=CC(=O)OC2C(OC3C(Oc4cc(O)c5c(=O)cc(-c6ccc(OC7OC(C(=O)O)C(O)C(O)C7O)cc6)oc5c4)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Medicago sativa  | Ref. |
|
|
zoom in
| Organism | Medicago sativa |
|---|
| Reference | https://doi.org/10.1021/jf000876p |
|---|
|
