input word = C00005943

Metabolite InformationStructural formula
Name Quercetin 3-(3''-acetyl-alpha-L-arabinofuranoside)
Formula C22H20O12
Mw 476.09547611
CAS RN 54716-89-1
C_ID C00005943 ,
InChIKey RCFWRYSPIYCQHE-XZVSWSRENA-N
InChICode InChI=1S/C22H20O12/c1-8(24)31-20-15(7-23)33-22(18(20)30)34-21-17(29)16-13(28)5-10(25)6-14(16)32-19(21)9-2-3-11(26)12(27)4-9/h2-6,15,18,20,22-23,25-28,30H,7H2,1H3/t15-,18+,20-,22+/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1[C@@H]([C@H]([C@@H](O1)CO)OC(=O)C)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeUrticaceaeBoehmeria tricuspis Ref.
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