DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:32 UTC
Update Date	2025-03-25 00:51:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184239
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₀N₂O₄
Molecular Mass	280.1423
SMILES	NC(CCC(=O)NC(CO)C(=O)O)Cc1ccccc1
InChI Key	RIFAFTDNUGTPAB-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	n-acyl-alpha amino acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds primary alcohols secondary carboxylic acid amides serine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol amphetamine or derivatives alcohol n-acyl-alpha-amino acid hydroxy acid carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound serine or derivatives organooxygen compound

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