p-Cresol Glucuronide-d7

Analyte Name

p-Cresol Glucuronide-d7

Molecular Formula

C13D7H9O7

Molecular Weight

291.30

Accurate Mass

291.1335

SMILES

[2H]c1c([2H])c(c([2H])c([2H])c1O[C@@H]2OC([C@@H](O)[C@H](O)C2O)C(=O)O)C([2H])([2H])[2H]

InChI

InChI=1S/C13H16O7/c1-6-2-4-7(5-3-6)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

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

Unlabelled CAS Number

17680-99-8

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Cresol

Purity

>95% (HPLC)