DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:25:51 UTC
Update Date	2025-03-21 18:39:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00124271
Frequency	20.7
Structure
Chemical Formula	C₁₃H₁₆N₂O₃
Molecular Mass	248.1161
SMILES	NC(Cc1ccc(O)cc1)C(=O)N1CCCC1=O
InChI Key	SXXZQXRGCVHEIF-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	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives dicarboximides hydrocarbon derivatives monoalkylamines n-acylpyrrolidines n-substituted carboxylic acid imides organic oxides organonitrogen compounds organopnictogen compounds pyrrolidine-2-ones
Substituents	2-pyrrolidone monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide pyrrolidine carboxylic acid imide, n-substituted pyrrolidone organoheterocyclic compound amphetamine or derivatives alpha-amino acid amide azacycle carboxylic acid imide organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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