DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:44:45 UTC
Update Date	2025-03-25 00:48:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02166501
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₄N₂O₃
Molecular Mass	222.1004
SMILES	CC(=O)Nc1cccc(C(N)CC(=O)O)c1
InChI Key	ZRVIPAGKPMZOJH-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	beta amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	acetamides acetanilides carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acetylarylamines organic oxides organopnictogen compounds phenylpropanoic acids secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid n-acetylarylamine 3-phenylpropanoic-acid n-arylamide organic oxide organonitrogen compound organopnictogen compound acetamide acetanilide carboxamide group beta amino acid or derivatives 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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