input word = C00005378

Metabolite InformationStructural formula
Name Quercetin 3-(6''-ethylglucuronide)
Formula C23H22O13
Mw 506.10604079
CAS RN 93753-28-7
C_ID C00005378 ,
InChIKey ARHZOOUFQQMDOW-NMYXUETCNA-N
InChICode InChI=1S/C23H22O13/c1-2-33-22(32)21-17(30)16(29)18(31)23(36-21)35-20-15(28)14-12(27)6-9(24)7-13(14)34-19(20)8-3-4-10(25)11(26)5-8/h3-7,16-18,21,23-27,29-31H,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(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTamaricaceaeTamarix nilotica Ref.
zoom in