Synonyms: "3-caffeoylquinic acid", "chlorogenate", "hlorogenic acid", "3-o-caffeoylquinic acid", "heriguard", "3-(3,4-dihydroxycinnamoyl)quinic acid", "3-caffeoylquinate", "caffeoyl quinic acid"
Source: chlorogenic acid is a phenolic natural product isolated from the leaves and fruits of dicotyledonous plants, including the coffee bean.
IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
CAS Number: 327-97-9
PubChem ID: 1794427
Canonical SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
Molecular Formula: C16H18O9
Molecular Weight: 354,3087
Number of bond donors: 6
Number of bond acceptors: 8
Number of atoms different from hydrogen: 25
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