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CHEBI:189803 - Avenanthramide 2

ChEBI IDCHEBI:189803
ChEBI NameAvenanthramide 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H17NO7
Net Charge0
Average Mass359.334
Monoisotopic Mass359.10050
SMILESCOc1cc(/C=C/C(=O)Nc2cc(OC)c(O)cc2C(=O)O)ccc1O
InChIInChI=1S/C18H17NO7/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/h3-9,20-21H,1-2H3,(H,19,22)(H,23,24)/b6-4+
InChIKeyYDAKMIMUVCLFIN-GQCTYLIASA-N
Species of MetaboliteComponentSourceComments
Sarcophaga peregrina (ncbitaxon:7386) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4102)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Avenanthramide 2 (CHEBI:189803) is a alkaloid (CHEBI:22315)
Avenanthramide 2 (CHEBI:189803) is a benzamides (CHEBI:22702)
IUPAC Name 
5-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-methoxybenzoic acid
Manual XrefsDatabases
30776986ChemSpider
HMDB0033211HMDB