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CHEBI:174975 - Caftaric acid

ChEBI IDCHEBI:174975
ChEBI NameCaftaric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O9
Net Charge0
Average Mass312.230
Monoisotopic Mass312.04813
SMILESO=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O
InChIInChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1
InChIKeySWGKAHCIOQPKFW-JTNORFRNSA-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)
Caftaric acid (CHEBI:174975) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
Manual XrefsDatabases
4944664ChemSpider
HMDB0013680HMDB
Registry NumbersSources
CAS:67879-58-7ChemIDplus