DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:46:03 UTC
Update Date	2025-03-21 18:00:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00029114
Frequency	128.7
Structure
Chemical Formula	C₁₁H₁₂N₂O₄
Molecular Mass	236.0797
SMILES	CC(=O)Nc1ccccc1C(=O)NCC(=O)O
InChI Key	WFHGPLMQKOTNHI-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	acetamides acetanilides acylaminobenzoic acid and derivatives alpha amino acids benzoyl derivatives carbonyl compounds carboxylic acids hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives n-acetylarylamines organic oxides organopnictogen compounds secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid n-acetylarylamine benzoyl n-arylamide benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound acetamide vinylogous amide acylaminobenzoic acid or derivatives acetanilide 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 organic nitrogen compound organooxygen compound

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