Quercetin 3-O-Beta-D-Glucuronide

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Analyte Name

Quercetin-3-O-glucuronide

CAS Number

22688-79-5

Molecular Formula

C21 H18 O13

Molecular Weight

478.36

Accurate Mass

478.0747

SMILES

O[C@@H]1[C@@H](O)C(OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21?/m0/s1

IUPAC

(2S,3S,4S,5R)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Quercetin