Avenanthramide 1s (CHEBI:191746)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Avenanthramide 1s

ChEBI ID	CHEBI:191746

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H17NO6

Net Charge

Average Mass

343.335

Monoisotopic Mass

343.10559

InChI

InChI=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+

InChIKey

RGFLTMLKBQWTSH-BQYQJAHWSA-N

SMILES

O(C1=CC(=CC(OC)=C1O)/C=C/C(=O)NC=2C(=CC=CC2)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 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