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CHEBI:167465 - avenanthramide B(1−)

ChEBI IDCHEBI:167465
ChEBI Nameavenanthramide B(1−)
Stars
ASCII Nameavenanthramide B(1-)
DefinitionA hydroxybenzoate that is the conjugate base of avenanthramide B, resulting from the deprotonation of the carboxy group. Major species at pH 7.3.
Last Modified15 February 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC17H14NO6
Net Charge-1
Average Mass328.300
Monoisotopic Mass328.08266
SMILESCOc1cc(/C=C/C(=O)Nc2ccc(O)cc2C(=O)[O-])ccc1O
InChIInChI=1S/C17H15NO6/c1-24-15-8-10(2-6-14(15)20)3-7-16(21)18-13-5-4-11(19)9-12(13)17(22)23/h2-9,19-20H,1H3,(H,18,21)(H,22,23)/p-1/b7-3+
InChIKeyJXFZHMCSCYADIX-XVNBXDOJSA-M
ChEBI Ontology
Outgoing Relation(s)
avenanthramide B(1−) (CHEBI:167465) is a amidobenzoate (CHEBI:61666)
avenanthramide B(1−) (CHEBI:167465) is a hydroxybenzoate (CHEBI:24675)
avenanthramide B(1−) (CHEBI:167465) is conjugate base of avenanthramide B (CHEBI:167489)
Incoming Relation(s)
avenanthramide B (CHEBI:167489) is conjugate acid of avenanthramide B(1−) (CHEBI:167465)
IUPAC Name 
5-hydroxy-2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}benzoate
Synonyms  Source
N-feruloyl-5-hydroxyanthranilateChEBI
5-hydroxy-2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]benzoateIUPAC
N-[4'-hydroxy-3'-methoxy-(E)-cinnamoyl]-5-hydroxyanthranilateChEBI
UniProt Name  Source
avenanthramide BUniProt
Manual XrefsDatabases
CPD-23405MetaCyc
Citations