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CHEBI:191662 - Avenanthramide A2

Default Structure
ChEBI IDCHEBI:191662
ChEBI NameAvenanthramide A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H19NO7
Net Charge0
Average Mass361.350
Monoisotopic Mass361.11615
SMILESCOc1cc(/C=C/C(=O)Nc2cc(OC)c(O)cc2C(O)O)ccc1O
InChIInChI=1S/C18H19NO7/c1-25-15-7-10(3-5-13(15)20)4-6-17(22)19-12-9-16(26-2)14(21)8-11(12)18(23)24/h3-9,18,20-21,23-24H,1-2H3,(H,19,22)/b6-4+
InChIKeyPESXZYVWZYEQPY-GQCTYLIASA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Avenanthramide A2 (CHEBI:191662) is a methoxybenzenes (CHEBI:51683)
Avenanthramide A2 (CHEBI:191662) is a phenols (CHEBI:33853)
IUPAC Name 
(E)-N-[2-(dihydroxymethyl)-4-hydroxy-5-methoxyphenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Manual XrefsDatabases
30776766ChemSpider
HMDB0029297HMDB