DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:47:59 UTC
Update Date	2025-03-21 18:01:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00033680
Frequency	107.5
Structure
Chemical Formula	C₁₂H₁₄N₂O₄
Molecular Mass	250.0954
SMILES	NC(=O)CC(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	BRYULFHVIOVCAM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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