Analyte Name

(p-Salicylic Acid-d4) 4-Glucuronide Potassium Salt

Molecular Formula

C13 D4 H9 K O9

Molecular Weight

356.36

Accurate Mass

356.045

SMILES

[2H]c1c([2H])c(C(=O)O)c([2H])c([2H])c1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O[K]

InChI

InChI=1S/C13H14O9.K/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-3-1-5(2-4-6)11(17)18;/h1-4,7-10,13-16H,(H,17,18)(H,19,20);/q;+1/p-1/t7-,8-,9+,10-,13+;/m0./s1/i1D,2D,3D,4D;

IUPAC

[(2S,3S,4S,5R,6S)-6-(4-carboxy-2,3,5,6-tetradeuteriophenoxy)-3,4,5-trihydroxyoxane-2-carbonyl]oxypotassium

Unlabelled CAS Number

1376574-47-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat