EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:191746 - Avenanthramide 1s

ChEBI IDCHEBI:191746
ChEBI NameAvenanthramide 1s
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H17NO6
Net Charge0
Average Mass343.335
Monoisotopic Mass343.10559
SMILESCOc1cc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc(OC)c1O
InChIInChI=1S/C18H17NO6/c1-24-14-9-11(10-15(25-2)17(14)21)7-8-16(20)19-13-6-4-3-5-12(13)18(22)23/h3-10,21H,1-2H3,(H,19,20)(H,22,23)/b8-7+
InChIKeyRGFLTMLKBQWTSH-BQYQJAHWSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Avenanthramide 1s (CHEBI:191746) is a methoxybenzenes (CHEBI:51683)
Avenanthramide 1s (CHEBI:191746) is a phenols (CHEBI:33853)
IUPAC Name 
2-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid
Manual XrefsDatabases
9123115ChemSpider
HMDB0029285HMDB