DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:09 UTC
Update Date	2025-03-25 00:47:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02162772
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₂N₄O₄
Molecular Mass	382.1641
SMILES	O=C(NC(CO)C(=O)O)c1ccc(N2CC3CNc4ccccc4N3C2)cc1
InChI Key	RUIHMYCAIMBBKH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	hippuric acids and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids aniline and substituted anilines azacyclic compounds benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkylarylamines hydrocarbon derivatives imidazopyrazines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylimidazolidines primary alcohols secondary alkylarylamines secondary carboxylic acid amides serine and derivatives
Substituents	imidazolidine carbonyl group carboxylic acid phenylimidazolidine imidazopyrazine amino acid or derivatives amino acid benzoyl alpha-amino acid or derivatives carboxylic acid derivative beta-hydroxy acid organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol azacycle n-acyl-alpha-amino acid hippuric acid or derivatives aniline or substituted anilines hydroxy acid secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound serine or derivatives amine organooxygen compound

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