DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:37:24 UTC
Update Date	2025-03-21 17:57:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00009441
Frequency	565.0
Structure
Chemical Formula	C₁₁H₁₂N₂O₄
Molecular Mass	236.0797
SMILES	Nc1ccccc1C(=O)CC(=O)NCC(=O)O
InChI Key	BQBSPVLLYWPLJX-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 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 carboxamide group n-acylglycine phenylketone aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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