Analyte Name

N-Acetyltyramine Glucuronide

CAS Number

28116-26-9

Molecular Formula

C16 H21 N O8

Molecular Weight

355.34

Accurate Mass

355.127

SMILES

CC(=O)NCCc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)cc1

InChI

InChI=1S/C16H21NO8/c1-8(18)17-7-6-9-2-4-10(5-3-9)24-16-13(21)11(19)12(20)14(25-16)15(22)23/h2-5,11-14,16,19-21H,6-7H2,1H3,(H,17,18)(H,22,23)/t11-,12-,13+,14-,16+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[4-(2-acetamidoethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat