DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:24 UTC
Update Date	2025-03-21 18:06:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00063079
Frequency	49.0
Structure
Chemical Formula	C₁₁H₁₂N₂O₆
Molecular Mass	268.0695
SMILES	O=C(O)CC(NC(=O)Nc1ccc(O)cc1)C(=O)O
InChI Key	NLCLHTFWJZSXLH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	aspartic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives n-carbamoyl-alpha amino acids n-phenylureas organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds
Substituents	monocyclic benzene moiety carbonyl group carbonic acid derivative carboxylic acid n-carbamoyl-alpha-amino acid 1-hydroxy-2-unsubstituted benzenoid aromatic homomonocyclic compound n-phenylurea organic oxide organic oxygen compound n-carbamoyl-alpha-amino acid or derivatives aspartic acid or derivatives organonitrogen compound alpha-amino acid dicarboxylic acid or derivatives organopnictogen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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