input word = C00005945

Metabolite InformationStructural formula
Name Quercetin 3-(3''-acetylgalactoside)
Formula C23H22O13
Mw 506.10604079
CAS RN 72659-76-8,94799-72-1
C_ID C00005945 ,
InChIKey OCVFBAUXTBKWGG-UFROUNSFNA-N
InChICode InChI=1S/C23H22O13/c1-8(25)33-21-17(30)15(7-24)35-23(19(21)32)36-22-18(31)16-13(29)5-10(26)6-14(16)34-20(22)9-2-3-11(27)12(28)4-9/h2-6,15,17,19,21,23-24,26-30,32H,7H2,1H3/t15-,17+,19-,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)CO)O)OC(=O)C)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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