Analyte Name

o-Cresol-d7 beta-D-Glucuronide

Molecular Formula

C13 D7 H9 O7

Molecular Weight

291.305

Accurate Mass

291.134

SMILES

[2H]c1c([2H])c([2H])c(c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)c1[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C13H16O7/c1-6-4-2-3-5-7(6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1/i1D3,2D,3D,4D,5D

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenoxy]oxane-2-carboxylic acid

Unlabelled CAS Number

111897-99-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat