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Product Overview

Product Code

TRC-G350015

CAS Number

38482-81-4

Product Format

Neat

Molecular Formula

C21 H18 O11

Molecular Weight

446.36

Product Categories

TRC, Additional endogenous metabolites, Cancer Research Chemicals and Analytical Standards, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

Metabolite, API

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Genistein 7-beta-D-Glucuronide

CAS Number

38482-81-4

Molecular Formula

C21 H18 O11

Molecular Weight

446.36

Accurate Mass

446.0849

SMILES

O[C@H]1[C@H](Oc2cc(O)c3C(=O)C(=COc3c2)c4ccc(O)cc4)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O

InChI

InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)11-7-30-13-6-10(5-12(23)14(13)15(11)24)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

Purity

>95% (HPLC)

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