DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:53:36 UTC
Update Date	2025-03-21 18:03:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00047203
Frequency	70.6
Structure
Chemical Formula	C₁₂H₁₆N₂O₄
Molecular Mass	252.111
SMILES	NC(Cc1ccccc1)C(O)C(=O)NCC(=O)O
InChI Key	GAFNVJIFDNKAIU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid glycopeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	acyl glycines alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide monosaccharide alpha-amino acid or derivatives carboxylic acid derivative saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid carboxamide group n-acyl-amine beta amino acid or derivatives n-acylglycine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hybrid glycopeptide secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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