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Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-12-10 18:50:20 UTC
Update Date2024-10-09 22:34:05 UTC
Metabolite IDMMDBc0000577
Metabolite Identification
Common NameCaffeic acid
DescriptionCaffeic acid (CAS: 331-39-5) is a polyphenol present in normal human urine positively correlated to coffee consumption and influenced by the dietary intake of diverse types of food (PMID:16870009 ). Caffeic acid has been found to be a microbial metabolite of Escherichia (PMID: 28396925 ).
Structure
Synonyms
Molecular FormulaC9H8O4
Average Mass180.1574
Monoisotopic Mass180.042258744
IUPAC Name(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Traditional Namecaffeic acid
CAS Registry NumberNot Available
SMILES
OC(=O)\C=C\C1=CC(O)=C(O)C=C1
InChI Identifier
InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChI KeyQAIPRVGONGVQAS-DUXPYHPUSA-N