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CHEBI:2939 - Avenanthramide A

ChEBI IDCHEBI:2939
ChEBI NameAvenanthramide A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H13NO5
Net Charge0
Average Mass299.282
Monoisotopic Mass299.07937
SMILESO=C(/C=C/c1ccc(O)cc1)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C16H13NO5/c18-11-4-1-10(2-5-11)3-8-15(20)17-14-7-6-12(19)9-13(14)16(21)22/h1-9,18-19H,(H,17,20)(H,21,22)/b8-3+
InChIKeyQGUMNWHANDITDB-FPYGCLRLSA-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)
Avenanthramide A (CHEBI:2939) is a hydroxycinnamic acid (CHEBI:24689)
Avenanthramide A (CHEBI:2939) is conjugate acid of avenanthramide A(1−) (CHEBI:167464)
Incoming Relation(s)
avenanthramide A(1−) (CHEBI:167464) is conjugate base of Avenanthramide A (CHEBI:2939)
Synonym  Source
Avenanthramide AKEGG COMPOUND
Manual XrefsDatabases
C08472KEGG COMPOUND
C00001527KNApSAcK
HMDB0038577HMDB
Registry NumbersSources
CAS:108605-70-5KEGG COMPOUND