DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:50 UTC
Update Date	2025-03-21 18:29:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00076125
Frequency	38.7
Structure
Chemical Formula	C₁₀H₁₂N₂O₄
Molecular Mass	224.0797
SMILES	Nc1ccc(C(=O)NCC(O)C(=O)O)cc1
InChI Key	OQDCTEUBGDURTG-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	alpha hydroxy acids and derivatives amino acids benzamides benzoyl derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds primary amines secondary alcohols secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid alpha-hydroxy acid benzoyl monosaccharide benzamide saccharide organic oxide organonitrogen compound organopnictogen compound alcohol benzoic acid or derivatives hydroxy acid carboxamide group beta amino acid or derivatives aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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