DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:00 UTC
Update Date	2025-03-25 00:47:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160180
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₆N₂O₃
Molecular Mass	248.1161
SMILES	Nc1ccccc1C(=O)CN1CCCC1C(=O)O
InChI Key	RCOADLRKNOTFTD-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	proline and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alkyl-phenylketones alpha amino acids alpha-amino ketones amino acids aryl alkyl ketones azacyclic compounds benzoyl derivatives carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds primary amines pyrrolidine carboxylic acids trialkylamines vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone aromatic heteromonocyclic compound amino acid benzoyl ketone organic oxide alpha-aminoketone pyrrolidine carboxylic acid alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound proline or derivatives vinylogous amide azacycle n-alkylpyrrolidine tertiary aliphatic amine phenylketone monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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