input word = C00013834

Metabolite InformationStructural formula
Name Quercetin 5-glucuronide
2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4-oxo-4H-1-benzopyran-5-yl beta-D-glucopyranosiduronic acid
Formula C21H18O13
Mw 478.07474066
CAS RN 367522-85-8
C_ID C00013834 ,
InChIKey QGUWJXBTZOYHDX-UQOQZCQMNA-N
InChICode InChI=1S/C21H18O13/c22-7-4-10-12(13(25)15(27)18(32-10)6-1-2-8(23)9(24)3-6)11(5-7)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+/m0/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O)c(cc(c2)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLeucanthemum vulgare Ref.
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