3-(3,4-dihydroxyphenyl)-N-(3-oxopropyl)propanimidic acid (CHEBI:189807)

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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	3-(3,4-dihydroxyphenyl)-N-(3-oxopropyl)propanimidic acid

ChEBI ID	CHEBI:189807

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H15NO4

Net Charge

Average Mass

237.255

Monoisotopic Mass

237.10011

InChI

InChI=1S/C12H15NO4/c14-7-1-6-13-12(17)5-3-9-2-4-10(15)11(16)8-9/h2,4,7-8,15-16H,1,3,5-6H2,(H,13,17)

InChIKey

XSWMCCVFWWFVPJ-UHFFFAOYSA-N

SMILES

O=C(NCCC=O)CCC1=CC(O)=C(O)C=C1

Metabolite of Species	Details
Sarcophaga peregrina (NCBI:txid7386)	Found in Whole Organism (NCIT:C13413). See: MetaboLights Study

ChEBI Ontology
Outgoing	3-(3,4-dihydroxyphenyl)-N-(3-oxopropyl)propanimidic acid (CHEBI:189807) is a catechols (CHEBI:33566)

IUPAC Name

3-(3,4-dihydroxyphenyl)-N-(3-oxopropyl)propanamide