DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:07:52 UTC
Update Date	2025-03-21 18:30:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00081097
Frequency	35.8
Structure
Chemical Formula	C₁₂H₁₄N₄O₄
Molecular Mass	278.1015
SMILES	NC(Cc1ccc(O)cc1)C(=O)NC1NC(=O)NC1=O
InChI Key	ZIECFEGYKJOQTO-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 heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives dicarboximides fatty amides hydantoins hydrocarbon derivatives imidazolidinones monoalkylamines n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides tyrosine and derivatives
Substituents	imidazolidine fatty acyl monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives imidazolidinone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives carbonic acid derivative tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound hydantoin phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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