Dihydro Ferulic Acid 4-O-β-D-Glucuronide

• CAT Number: R024482
• CAS Number: 86321-28-0
• Molecular Formula: C16H20O10
• Molecular Weight: 372.326
• Purity: ≥95%
• Synonyms: 4-(2-Carboxyethyl)-2-methoxyphenyl β-D-Glucopyranosiduronic Acid; Dihydroferulic Acid 4-O-Glucuronide
• Storage: -20°C
• IUPAC Name: (2S,3S,4S,5R,6S)-6-[4-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• InChI: InChI=1S/C16H20O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2,4,6,11-14,16,19-21H,3,5H2,1H3,(H,17,18)(H,22,23)/t11-,12-,13+,14-,16+/m0/s1
• InChIKey: KYERCTIKYSSKPA-JHZZJYKESA-N
• SMILES: COC1=C(C=CC(=C1)CCC(=O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O

Dihydro Ferulic Acid 4-O-β-D-Glucuronide (CAS 86321-28-0) is a metabolite profiling of hydroxycinnamate derivative in plasma and urine after the ingestion of coffee by humans. It can be use for the identification of biomarkers of coffee consumption.

Reference

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2.Andreasen, Mette F., et al. "Esterase activity able to hydrolyze dietary antioxidant hydroxycinnamates is distributed along the intestine of mammals." Journal of Agricultural and Food Chemistry 49.11 (2001): 5679-5684.
3.Poquet, Laure, Michael N. Clifford, and Gary Williamson. "Transport and metabolism of ferulic acid through the colonic epithelium." Drug Metabolism and Disposition 36.1 (2008): 190-197.