DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:19:32 UTC
Update Date	2025-03-21 18:36:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00109242
Frequency	24.5
Structure
Chemical Formula	C₁₉H₂₁N₃O₅
Molecular Mass	371.1481
SMILES	Nc1ccccc1C(=O)CC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	QHJOFKMMOFAYPR-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	dipeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alkyl-phenylketones alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides tyrosine and derivatives vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone 3-phenylpropanoic-acid amino acid or derivatives amino acid fatty amide benzoyl 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives vinylogous amide tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine phenylketone butyrophenone aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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