Caffeic Acid 3-β-D-Glucuronide

  • CAT Number: R013596
  • CAS Number: 1093679-73-2
  • Molecular Formula: C15H16O10
  • Molecular Weight: 356.283
  • Purity: ≥95%
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<span style="font-size:12px;"><span style="font-family:arial,helvetica,sans-serif;">Caffeic Acid 3-&beta;-D-Glucuronide (CAS&nbsp;1093679-73-2) is a&nbsp;metabolite of Caffeic acid.</span></span>

Catalog Number R013596
CAS Number 1093679-73-2
Synonyms

5-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-Glucopyranosiduronic Acid;

Molecular Formula

C15H16O10

Purity 95%
Storage Store at +4C
IUPAC Name (2S,3S,4S,5R,6S)-6-[5-[(E)-2-carboxyethenyl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI InChI=1S/C15H16O10/c16-7-3-1-6(2-4-9(17)18)5-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b4-2+/t10-,11-,12+,13-,15+/m0/s1
InChIKey BSOMSDFTZKNUHY-ZYZFHZPYSA-N
SMILES C1=CC(=C(C=C1C=CC(=O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O)O
Reference

<p>
<span style="font-size:12px;"><span style="font-family:arial,helvetica,sans-serif;">1.Zhu, Bao Ting, Edward L. Ezell, and Joachim G. Liehr. &quot;Catechol-O-methyltransferase-catalyzed rapid O-methylation of mutagenic flavonoids. Metabolic inactivation as a possible reason for their lack of carcinogenicity in vivo.&quot;&nbsp;<i style="font-family: Arial, sans-serif; font-size: 13px;">Journal of Biological Chemistry</i>&nbsp;269.1 (1994): 292-299.<br />
2.Azuma, Keiko, et al. &quot;Absorption of chlorogenic acid and caffeic acid in rats after oral administration.&quot;&nbsp;<i style="font-family: Arial, sans-serif; font-size: 13px;">Journal of agricultural and food chemistry</i>&nbsp;48.11 (2000): 5496-5500.</span></span></p>

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