DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:50:32 UTC
Update Date	2025-03-21 18:02:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00039771
Frequency	87.3
Structure
Chemical Formula	C₁₇H₁₇NO₃
Molecular Mass	283.1208
SMILES	Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	CNQCYENIXQFAEI-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	alpha amino acids amphetamines and derivatives benzoyl derivatives carbonyl compounds carboxylic acids hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids secondary carboxylic acid amides o-toluamides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid benzoyl toluamide benzamide organic oxide o-toluamide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound toluene organooxygen compound

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