General Information
Compound IDOSC1432
Common NameChlorogenate
Synonyms NamesChlorogenic acid ;Caffeoyl quinic acid ;trans-5-O-Caffeoyl-D-quinate
FormulaC16H18O9
Formula at pH 7.2 (Predicted)C16H17O9-
Molecular Weight354.309
Structure
SMILESC(=O)(OC1(C(O)C(O)CC(O)(C1)C(O)=O))C=Cc2(cc(O)c(O)cc2)
ReactionsOSR2296  OSR2355  
Pathways
KEGGrn00940  rn00941  rn00945  rn01110  
Database Links
KEGGC00852  
ChEBI 16112
Pubchem Compound1794427
Pubchem Substance4109