DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:49:12 UTC
Update Date	2025-03-21 18:02:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00036661
Frequency	96.3
Structure
Chemical Formula	C₁₄H₁₆N₂O₅
Molecular Mass	292.1059
SMILES	NC(Cc1ccc(O)cc1)C(=O)N1C(=O)CCC1C(=O)O
InChI Key	SFQMNFLNBKUWIB-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	dipeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboximides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines n-substituted carboxylic acid imides organic oxides organonitrogen compounds organopnictogen compounds oxoprolines proline and derivatives pyrrolidine carboxylic acids pyrrolidine-2-ones
Substituents	2-pyrrolidone monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organic oxide pyrrolidine carboxylic acid organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide pyrrolidine carboxylic acid imide, n-substituted pyrrolidone organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives oxoproline alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxylic acid imide alpha-dipeptide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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