Product Code

TRC-Q509510

CAS Number

22688-79-5

Product Format

Neat

Molecular Formula

C21 H18 O13

Molecular Weight

478.36

API Family

Quercetin

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials

Product Type

Metabolite, Bioactive Small Molecule

Price and availability

48-hour USA dispatch time

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Product Information

Chemical Data

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Quercetin

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Quercetin 3-O-Beta-D-Glucuronide

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