input word = C00013836

Metabolite InformationStructural formula
Name Quercetin 4'-glucuronide
2-Hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl beta-D-glucopyranosiduronic acid
Formula C21H18O13
Mw 478.07474066
CAS RN 201463-36-7
C_ID C00013836 ,
InChIKey OUQZCILJSVDJFB-GKPHOCNHNA-N
InChICode InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-10(8(23)3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16+,17+,19+,21-/m1/s1
SMILES c1c(cc(c(c1)O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)c1oc2c(c(=O)c1O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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