DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:37 UTC
Update Date	2025-03-21 18:29:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00078070
Frequency	37.5
Structure
Chemical Formula	C₁₂H₁₃NO₅
Molecular Mass	251.0794
SMILES	CC(=O)NC(Cc1ccccc1C(=O)O)C(=O)O
InChI Key	AWTYHWRFEIRCHX-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	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds acetamides alpha amino acids amphetamines and derivatives benzoic acids benzoyl derivatives carbonyl compounds dicarboxylic acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid benzoyl organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid acetamide amphetamine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid benzoic acid or derivatives carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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