DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:26 UTC
Update Date	2025-03-25 00:47:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02161133
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₇N₃O₂
Molecular Mass	247.1321
SMILES	NC1CN(C(=O)C(N)Cc2ccccc2)CC1=O
InChI Key	XSNUBCJGROSREK-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	alpha amino acid amides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carboxylic acids and derivatives cyclic ketones hydrocarbon derivatives monoalkylamines n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds pyrrolidine-3-ones tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound 3-pyrrolidone n-acylpyrrolidine cyclic ketone ketone organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine pyrrolidone organoheterocyclic compound amphetamine or derivatives alpha-amino acid amide azacycle carboxamide group organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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