DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:08 UTC
Update Date	2025-03-25 00:56:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02217821
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₁ClN₂O₄
Molecular Mass	270.0407
SMILES	CC(=O)Nc1cc(C(=O)NCC(=O)O)ccc1Cl
InChI Key	QRGFHZUZQPIAMD-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	4-halobenzoic acids and derivatives acetamides acylaminobenzoic acid and derivatives alpha amino acids aryl chlorides benzoyl derivatives carbonyl compounds carboxylic acids chlorobenzenes hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives n-acetylarylamines o-haloacetanilides organic oxides organochlorides organopnictogen compounds secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid n-acetylarylamine organochloride o-haloacetanilide benzoyl n-arylamide organohalogen compound benzamide haloacetanilide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound acetamide aryl chloride chlorobenzene acylaminobenzoic acid or derivatives acetanilide hippuric acid or derivatives benzoic acid or derivatives halobenzoic acid or derivatives carboxamide group n-acylglycine aryl halide 4-halobenzoic acid or derivatives aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound halobenzene organooxygen compound

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