CHEBI:191662 - Avenanthramide A2

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ChEBI Name Avenanthramide A2
ChEBI ID CHEBI:191662
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H19NO7
Net Charge 0
Average Mass 361.350
Monoisotopic Mass 361.11615
InChI InChI=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+
InChIKey PESXZYVWZYEQPY-GQCTYLIASA-N
SMILES O(C=1C=C(NC(=O)/C=C/C2=CC(OC)=C(O)C=C2)C(=CC1O)C(O)O)C
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
30776766 ChemSpider
HMDB0029297 HMDB
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