DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:25:33 UTC
Update Date	2025-03-21 18:39:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00123612
Frequency	20.8
Structure
Chemical Formula	C₁₃H₁₈N₂O₄
Molecular Mass	266.1267
SMILES	NC(CC(=O)O)C(=O)NC(CO)Cc1ccccc1
InChI Key	ZMFSCIZWASRWRR-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	aspartic acid and derivatives
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 hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds primary alcohols secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol amphetamine or derivatives alcohol alpha-amino acid amide carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound aspartic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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