DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:46:08 UTC
Update Date	2025-03-21 18:00:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00029294
Frequency	127.7
Structure
Chemical Formula	C₁₂H₁₅N₃O₄
Molecular Mass	265.1063
SMILES	Nc1ccccc1C(=O)CC(N)C(=O)NCC(=O)O
InChI Key	AUMZFKZZSNUKGJ-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	alkyl-phenylketones alpha amino acid amides alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids dipeptides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone amino acid fatty amide benzoyl alpha peptide ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound vinylogous amide alpha-amino acid amide carboxamide group n-acyl-amine n-acylglycine phenylketone butyrophenone aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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