DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:57 UTC
Update Date	2025-03-21 18:07:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00066819
Frequency	45.6
Structure
Chemical Formula	C₁₂H₁₄N₂O₄
Molecular Mass	250.0954
SMILES	O=CNC(Cc1ccccc1)C(=O)NCC(=O)O
InChI Key	XDBHINYLDNESQY-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	acyl glycines
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dipeptides fatty amides hydrocarbon derivatives monocarboxylic acids and derivatives n-formyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-formyl-alpha amino acid or derivatives amphetamine or derivatives alpha-amino acid amide carboxamide group n-acylglycine aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives n-formyl-alpha-amino acid organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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