Analyte Name

o-Coumaric Acid 4-O-beta-D-glucuronide-d4

Molecular Formula

C15 D4 H12 O9

Molecular Weight

344.307

Accurate Mass

344.105

SMILES

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

InChI

InChI=1S/C15H16O9/c16-9(17)6-5-7-3-1-2-4-8(7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-6,10-13,15,18-20H,(H,16,17)(H,21,22)/b6-5+/t10-,11-,12+,13-,15+/m0/s1/i1D,2D,3D,4D

IUPAC

(2S,3S,4S,5R,6S)-6-[2-[(E)-2-carboxyethenyl]-3,4,5,6-tetradeuteriophenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Unlabelled CAS Number

108884-00-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat