input word = C00005946

Metabolite InformationStructural formula
Name Quercetin 3-(6''-acetylgalactoside)
Formula C23H22O13
Mw 506.10604079
CAS RN 94799-71-0
C_ID C00005946 ,
InChIKey IGLUNMMNDNWZOA-NNFVLGQLNA-N
InChICode InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17+,19-,20-,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)COC(=O)C)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeLedum palustre Ref.
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