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CHEBI:149782 - 3-O-caffeoyl-4-O-methylquinic acid

ChEBI IDCHEBI:149782
ChEBI Name3-O-caffeoyl-4-O-methylquinic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC17H20O9
Net Charge0
Average Mass368.338
Monoisotopic Mass368.11073
SMILESCOc1cc(/C=C\C(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O
InChIInChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3-
InChIKeyRAGZUCNPTLULOL-HYXAFXHYSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
3-O-caffeoyl-4-O-methylquinic acid (CHEBI:149782) is a quinic acid (CHEBI:26493)