3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]propanimidic acid (CHEBI:191451)

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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-[2-(3,4-dihydroxyphenyl)ethyl]propanimidic acid

ChEBI ID	CHEBI:191451

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H19NO5

Net Charge

Average Mass

317.341

Monoisotopic Mass

317.12632

InChI

InChI=1S/C17H19NO5/c19-13-4-1-11(9-15(13)21)3-6-17(23)18-8-7-12-2-5-14(20)16(22)10-12/h1-2,4-5,9-10,19-22H,3,6-8H2,(H,18,23)

InChIKey

JSRZDPROOJRCNF-UHFFFAOYSA-N

SMILES

O=C(NCCC1=CC(O)=C(O)C=C1)CCC2=CC(O)=C(O)C=C2

Metabolite of Species	Details
Solanum tuberosum (NCBI:txid4113)	Found in leaf (BTO:0000713). See: MetaboLights Study

ChEBI Ontology
Outgoing	3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]propanimidic acid (CHEBI:191451) is a catechols (CHEBI:33566)

IUPAC Name

3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide