input word = C00006064

Metabolite InformationStructural formula
Name Kaempferol 3-beta-(6''-sulfatoglucoside)
Formula C21H20O14S
Mw 528.05737608
CAS RN 85290-34-2
C_ID C00006064 ,
InChIKey WYHOAUOZPBCWPP-UNCWLGIWNA-N
InChICode InChI=1S/C21H20O14S/c22-9-3-1-8(2-4-9)19-20(16(26)14-11(24)5-10(23)6-12(14)33-19)35-21-18(28)17(27)15(25)13(34-21)7-32-36(29,30)31/h1-6,13,15,17-18,21-25,27-28H,7H2,(H,29,30,31)/t13-,15-,17+,18-,21+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCystopteridaceae/Dryopteridaceae/WoodsiaceaeCystopteris fragilis Ref.
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