N-Salicyloylaspartic acid (CHEBI:169113)

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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	N-Salicyloylaspartic acid

ChEBI ID	CHEBI:169113

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H11NO6

Net Charge

Average Mass

253.210

Monoisotopic Mass

253.05864

InChI

InChI=1S/C11H11NO6/c13-8-4-2-1-3-6(8)10(16)12-7(11(17)18)5-9(14)15/h1-4,7,13H,5H2,(H,12,16)(H,14,15)(H,17,18)

InChIKey

JMJWCANHASMNST-UHFFFAOYSA-N

SMILES

OC(=O)C(NC(=O)C=1C(O)=CC=CC1)CC(O)=O

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	N-Salicyloylaspartic acid (CHEBI:169113) is a aspartic acid derivative (CHEBI:22661)

IUPAC Name

2-[(2-hydroxybenzoyl)amino]butanedioic acid