input word = C00005142

Metabolite InformationStructural formula
Name Kaempferol 3-(6''-ethylglucuronide)
Formula C23H22O12
Mw 490.11112617
CAS RN 93753-27-6
C_ID C00005142 ,
InChIKey YRZVQHMIYVCUGI-NMYXUETCNA-N
InChICode InChI=1S/C23H22O12/c1-2-32-22(31)21-17(29)16(28)18(30)23(35-21)34-20-15(27)14-12(26)7-11(25)8-13(14)33-19(20)9-3-5-10(24)6-4-9/h3-8,16-18,21,23-26,28-30H,2H2,1H3/t16-,17+,18+,21+,23-/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)C(=O)OCC)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTamaricaceaeTamarix nilotica Ref.
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