DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:50 UTC
Update Date	2025-03-21 18:38:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00119609
Frequency	21.8
Structure
Chemical Formula	C₁₈H₁₈N₂O₄
Molecular Mass	326.1267
SMILES	Nc1ccccc1C(=O)CC(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	CBYLZUSTDRVNCE-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	alkyl-phenylketones alpha amino acids amino acids amphetamines and derivatives aryl alkyl ketones benzoyl derivatives carboxylic acids fatty amides hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylpropanoic acids primary amines secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone 3-phenylpropanoic-acid amino acid fatty amide benzoyl ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives vinylogous amide n-acyl-alpha-amino acid carboxamide group phenylketone aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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