input word = C00005965

Metabolite InformationStructural formula
Name Quercetin 3-(4''-acetylrhamnoside)
Formula C23H22O12
Mw 490.11112617
CAS RN 69120-16-7
C_ID C00005965 ,
InChIKey PULIAKAXXDVGQY-HJTANKNANA-N
InChICode InChI=1S/C23H22O12/c1-8-20(33-9(2)24)18(30)19(31)23(32-8)35-22-17(29)16-14(28)6-11(25)7-15(16)34-21(22)10-3-4-12(26)13(27)5-10/h3-8,18-20,23,25-28,30-31H,1-2H3/t8-,18-,19-,20-,23-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)OC(=O)C)C)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeBetula pubescens Ref.
PlantaePteridaceaePteris grandifolia Ref.
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