DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:45 UTC
Update Date	2025-03-25 00:54:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205266
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₃N₃O₄
Molecular Mass	251.0906
SMILES	NCC(=O)Nc1ccccc1C(=O)NCC(=O)O
InChI Key	BFBYIAKODGGEJK-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	acylaminobenzoic acid and derivatives alpha amino acid amides alpha amino acids anilides benzoyl derivatives carbonyl compounds carboxylic acids hippuric acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid benzoyl n-arylamide benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound vinylogous amide acylaminobenzoic acid or derivatives alpha-amino acid amide hippuric acid or derivatives benzoic acid or derivatives carboxamide group n-acylglycine aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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