4-Feruloylquinic acid

• CAT Number: I044926
• CAS Number: 2613-86-7
• Molecular Formula: C17H20O9
• Molecular Weight: 368.34
• Purity: ≥95%
• Synonyms: (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
• InChI: InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15?,17?/m1/s1
• InChIKey: VTMFDSJJVNQXLT-XQCMRRNBSA-N
• SMILES: COC1=C(C=CC(=C1)C=CC(=O)OC2C(CC(CC2O)(C(=O)O)O)O)O

4-Feruloylquinic acid may be a potential biomarker for food products[1].

Reference

[1]. Kamila P Cheiran, et al. Simultaneous identification of low-molecular weight phenolic and nitrogen compounds in craft beers by HPLC-ESI-MS/MS. Food Chem. 2019 Jul 15;286:113-122.
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