Analyte Name

3-Indoxyl-beta-D-glucuronic Acid Sodium Salt

CAS Number

119736-51-5

Molecular Formula

C14 H14 N Na O7

Molecular Weight

331.253

Accurate Mass

331.067

SMILES

O[C@H]1[C@H](Oc2c[nH]c3ccccc23)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O[Na]

InChI

InChI=1S/C14H15NO7.Na/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8;/h1-5,9-12,14-18H,(H,19,20);/q;+1/p-1/t9-,10-,11+,12-,14+;/m0./s1

IUPAC

[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxane-2-carbonyl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat