DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:31:07 UTC
Update Date	2025-03-21 18:41:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00136599
Frequency	18.3
Structure
Chemical Formula	C₁₃H₁₈N₂O₄
Molecular Mass	266.1267
SMILES	NC(Cc1ccccc1)C(=O)NC(CO)CC(=O)O
InChI Key	JNEKOCMODRBNRB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives primary alcohols secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol amphetamine or derivatives alcohol alpha-amino acid amide carboxamide group beta amino acid or derivatives aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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