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CHEBI:8043 - Phaseolic acid

ChEBI IDCHEBI:8043
ChEBI NamePhaseolic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC13H12O8
Net Charge0
Average Mass296.231
Monoisotopic Mass296.05322
SMILESO=C(O)C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O
InChIInChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+/t10-/m0/s1
InChIKeyPMKQSEYPLQIEAY-YWNRKNDBSA-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)
Phaseolic acid (CHEBI:8043) is a hydroxycinnamic acid (CHEBI:24689)
Synonym  Source
Phaseolic acidKEGG COMPOUND
Manual XrefsDatabases
C10483KEGG COMPOUND
C00002765KNApSAcK
Registry NumbersSources
CAS:53755-04-7KEGG COMPOUND