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CHEBI:145097 - 3-O-caffeoyl-2-(2-propyl)-2-hydroxybutanedioic acid

ChEBI IDCHEBI:145097
ChEBI Name3-O-caffeoyl-2-(2-propyl)-2-hydroxybutanedioic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC16H18O9
Net Charge0
Average Mass354.311
Monoisotopic Mass354.09508
SMILESCC(C)C(O)(C(=O)O)C(OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O
InChIInChI=1S/C16H18O9/c1-8(2)16(24,15(22)23)13(14(20)21)25-12(19)6-4-9-3-5-10(17)11(18)7-9/h3-8,13,17-18,24H,1-2H3,(H,20,21)(H,22,23)/b6-4+
InChIKeyNMEUMTFTGDHBGD-GQCTYLIASA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-O-caffeoyl-2-(2-propyl)-2-hydroxybutanedioic acid (CHEBI:145097) is a hydroxycinnamic acid (CHEBI:24689)