CHEBI:189803 - Avenanthramide 2

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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 2
ChEBI ID CHEBI:189803
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H17NO7
Net Charge 0
Average Mass 359.334
Monoisotopic Mass 359.10050
InChI InChI=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+
InChIKey YDAKMIMUVCLFIN-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
Sarcophaga peregrina (NCBI:txid7386) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing 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 Xrefs Databases
30776986 ChemSpider
HMDB0033211 HMDB
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