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Product Overview

Product Code

TRC-D103530

CAS Number

552-66-9

Product Format

Neat

Molecular Formula

C21 H20 O9

Molecular Weight

416.38

Product Categories

TRC, Phytochemical Reference Materials and Research Tools, Nutritional Composition Compounds Reference Materials

Product Type

Bioactive small molecule, Metabolite

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Daidzin

CAS Number

552-66-9

Molecular Formula

C21 H20 O9

Molecular Weight

416.38

Accurate Mass

416.1107

SMILES

OC[C@H]1O[C@@H](Oc2ccc3C(=O)C(=COc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1

IUPAC

3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

Purity

>95% (HPLC)

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