| Name |
7-[(4-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| Formula |
C50H60O30 |
| Mw |
1140.31694058 |
| CAS RN |
220342-43-8 |
| C_ID |
C00060828
|
| InChIKey |
XDAUDAFKKQNYME-CTZUGDOISA-N |
| InChICode |
InChI=1S/C50H60O30/c1-69-23-9-17(10-24(70-2)31(23)58)3-8-29(57)77-45-37(64)33(60)26(14-52)74-49(45)80-46-38(65)34(61)27(15-53)75-50(46)79-44-35(62)30-21(56)11-20(12-22(30)72-42(44)18-4-6-19(55)7-5-18)71-47-41(68)39(66)43(28(16-54)76-47)78-48-40(67)36(63)32(59)25(13-51)73-48/h3-12,25-28,32-34,36-41,43,45-56,58-61,63-68H,13-16H2,1-2H3/b8-3+/t25-,26-,27-,28-,32-,33-,34-,36+,37+,38+,39-,40-,41-,43-,45-,46-,47-,48+,49+,50+/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)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Brassica oleracea  | Ref. |
|
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