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Product Overview

Product Code

TRC-C755370

CAS Number

214689-30-2

Product Format

Neat

Molecular Formula

C15H16O9

Molecular Weight

340.28

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

Metabolite, API

Documentation

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Product Information

Chemical Data

Analyte Name

p-Coumaric Acid 4-O-beta-D-Glucuronide

CAS Number

214689-30-2

Molecular Formula

C15H16O9

Molecular Weight

340.28

Accurate Mass

340.0794

SMILES

C1=CC(=CC=C1/C=C/C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

InChI

InChI=1S/C15H16O9/c16-9(17)6-3-7-1-4-8(5-2-7)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)/b6-3+/t10-,11-,12+,13-,15+/m0/s1

IUPAC

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

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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