DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:41:09 UTC
Update Date	2025-03-25 00:46:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02158315
Frequency	0.5
Structure
Chemical Formula	C₁₉H₁₉N₃O₃
Molecular Mass	337.1426
SMILES	O=C(O)CNC(=O)c1ccc(N2CC3Nc4ccccc4C3C2)cc1
InChI Key	XCRPISQBKPDVEZ-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	acyl glycines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids aminobenzamides aniline and substituted anilines azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines hippuric acids and derivatives hydrocarbon derivatives indoles indolines monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylpyrrolidines pyrroles pyrroloindoles secondary alkylarylamines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 1-phenylpyrrolidine amino acid indole benzoyl pyrroloindole benzamide organic oxide aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine pyrrolidine dihydroindole aminobenzoic acid or derivatives tertiary amine organoheterocyclic compound azacycle hippuric acid or derivatives aniline or substituted anilines indole or derivatives benzoic acid or derivatives secondary amine carboxamide group aminobenzamide n-acylglycine secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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