| Name |
Kaempferol 3-(2''-sinapylglucoside)-7-sophoroside |
| Formula |
C44H50O25 |
| Mw |
978.26411715 |
| CAS RN |
112208-89-6 |
| C_ID |
C00005922
, 
|
| InChIKey |
JLYSGWXWSOZJMT-YNIRPYGHNA-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)26(15-47)66-44(40)68-39-33(55)28-20(49)11-19(12-21(28)63-38(39)17-4-6-18(48)7-5-17)62-43-41(36(58)32(54)25(14-46)65-43)69-42-37(59)34(56)30(52)24(13-45)64-42/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)O[C@@H]2C(O)[C@H](O)C(CO)O[C@H]2Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c2=O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Brassica napus  | Ref. |
|
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