| Name |
2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
Quercetin 3-(2-sinapoylsophoroside) 7-glucoside |
| Formula |
C44H50O26 |
| Mw |
994.25903177 |
| CAS RN |
216595-09-4 |
| C_ID |
C00057251
|
| InChIKey |
SGQPSZYQOGDJOC-CNEWHDBPSA-N |
| InChICode |
InChI=1S/C44H50O26/c1-61-22-7-15(8-23(62-2)29(22)52)3-6-27(51)68-40-35(58)31(54)25(13-46)66-43(40)70-41-36(59)32(55)26(14-47)67-44(41)69-39-33(56)28-20(50)10-17(63-42-37(60)34(57)30(53)24(12-45)65-42)11-21(28)64-38(39)16-4-5-18(48)19(49)9-16/h3-11,24-26,30-32,34-37,40-50,52-55,57-60H,12-14H2,1-2H3/b6-3+/t24-,25-,26-,30-,31-,32-,34+,35+,36+,37-,40-,41-,42-,43+,44+/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@H]3[C@H](Oc4c(-c5ccc(O)c(O)c5)oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc(O)c5c4=O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Brassica napus  | Ref. |
| Plantae | Cruciferae | Brassica rapa | Ref. |
|
|
zoom in
| Organism | Brassica napus |
|---|
| Reference | Harborne, J.B.Chem. Ind. (London), 1962, 222-223 (3-rutinoside 7-glucuronide) |
|---|
|
