| Name |
Kaempferol 3-(2'''-sinapylsophoroside)-7-glucoside |
| Formula |
C44H50O25 |
| Mw |
978.26411715 |
| CAS RN |
82540-86-1,112294-86-7 |
| C_ID |
C00005916
, 
|
| InChIKey |
YXXQWPJFPHUNRF-FUEPARONNA-N |
| InChICode |
InChI=1S/C44H50O25/c1-60-22-9-16(10-23(61-2)29(22)51)3-8-27(50)67-40-35(57)31(53)25(14-46)65-43(40)69-41-36(58)32(54)26(15-47)66-44(41)68-39-33(55)28-20(49)11-19(62-42-37(59)34(56)30(52)24(13-45)64-42)12-21(28)63-38(39)17-4-6-18(48)7-5-17/h3-12,24-26,30-32,34-37,40-49,51-54,56-59H,13-15H2,1-2H3/b8-3+/t24-,25-,26-,30+,31+,32+,34-,35+,36-,37+,40+,41+,42+,43-,44-/m0/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OC2C(O)[C@H](O)C(CO)O[C@H]2OC2[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O[C@@H]5O[C@@H](CO)[C@@H](O)C(O)C5O)cc(O)c4c3=O)OC(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 oleracea | Ref. |
| Plantae | Cruciferae | Brassica rapa | Ref. |
|
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zoom in
| Organism | Brassica napus |
|---|
| Reference | Harborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides
Markham,Tetrahedron,34,(1978),1389
Nielsen,Phytochem.,34,(1993),539 |
|---|
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