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CHEBI:174976 - Cis-Caffeoyl tartaric acid

ChEBI IDCHEBI:174976
ChEBI NameCis-Caffeoyl tartaric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O9
Net Charge0
Average Mass312.230
Monoisotopic Mass312.04813
SMILESO=C(O)C(O)C(O)(C(=O)O)C(=O)/C=C\c1ccc(O)c(O)c1
InChIInChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)13(22,12(20)21)10(17)11(18)19/h1-5,10,14-15,17,22H,(H,18,19)(H,20,21)/b4-2-
InChIKeyOTZBATZSFRLPQL-RQOWECAXSA-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)
Cis-Caffeoyl tartaric acid (CHEBI:174976) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
2-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxybutanedioic acid
Manual XrefsDatabases
67157486ChemSpider