input word = C00034867

Metabolite InformationStructural formula
Name Kaempferol 3-O-beta-[(6-malonyl)sophoroside]-7-O-beta-glucoside
Formula C36H42O24
Mw 858.20660228
CAS RN 875559-93-6
C_ID C00034867 ,
InChIKey RBOXOQLQHYJWGL-HKNBOBFJNA-N
InChICode InChI=1S/C36H42O24/c37-8-16-22(44)26(48)29(51)34(56-16)54-13-5-14(40)21-15(6-13)55-31(11-1-3-12(39)4-2-11)32(25(21)47)59-36-33(60-35-30(52)27(49)23(45)17(9-38)57-35)28(50)24(46)18(58-36)10-53-20(43)7-19(41)42/h1-6,16-18,22-24,26-30,33-40,44-46,48-52H,7-10H2,(H,41,42)/t16-,17-,18-,22-,23-,24-,26+,27+,28+,29-,30-,33-,34-,35+,36+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePapaveraceaePapaver nudicaule Ref.
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OrganismPapaver nudicaule
ReferenceSchiliemann,Phytochem.,67,(2006),191