DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:32 UTC
Update Date	2025-03-21 18:06:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00065820
Frequency	52.6
Structure
Chemical Formula	C₁₂H₁₄N₂O₅
Molecular Mass	266.0903
SMILES	NC(Cc1ccc(C(=O)NCC(=O)O)cc1)C(=O)O
InChI Key	NEGKNGWRICRYRM-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	acyl glycines
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amphetamines and derivatives benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid benzoyl benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives hippuric acid or derivatives benzoic acid or derivatives carboxamide group n-acylglycine aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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