DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:55:21 UTC
Update Date	2025-03-21 18:04:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00051275
Frequency	63.8
Structure
Chemical Formula	C₁₂H₁₄N₂O₄
Molecular Mass	250.0954
SMILES	CC(NC(=O)CC(=O)c1ccccc1N)C(=O)O
InChI Key	JNUBYLKRFMLQDX-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	n-acyl-alpha amino acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alanine and derivatives alkyl-phenylketones alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives carboxylic acids fatty amides hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone amino acid fatty amide benzoyl ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound vinylogous amide n-acyl-alpha-amino acid carboxamide group phenylketone aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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