input word = C00006063

Metabolite InformationStructural formula
Name Kaempferol 3-(3''-sulfatoglucoside)
Formula C21H20O14S
Mw 528.05737608
CAS RN 85290-33-1
C_ID C00006063 ,
InChIKey OSLUOTYHBWLMHD-SYNPZFAFNA-N
InChICode InChI=1S/C21H20O14S/c22-7-13-15(26)19(35-36(29,30)31)17(28)21(33-13)34-20-16(27)14-11(25)5-10(24)6-12(14)32-18(20)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-26,28H,7H2,(H,29,30,31)/t13-,15-,17-,19+,21+/m1/s1
SMILES O=c1c(O[C@@H]2OC(CO)[C@@H](O)C(OS(=O)(=O)O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCystopteridaceae/Dryopteridaceae/WoodsiaceaeCystopteris fragilis Ref.
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