DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:58 UTC
Update Date	2025-03-21 18:39:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00126965
Frequency	20.1
Structure
Chemical Formula	C₁₃H₁₈N₂O₄
Molecular Mass	266.1267
SMILES	NC(Cc1ccccc1)C(O)C(=O)NCCC(=O)O
InChI Key	MZXYZGMKLPCJRH-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	beta amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	amphetamines and derivatives benzene and substituted 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 saccharide organic oxide organonitrogen compound organopnictogen compound amphetamine or derivatives alcohol carboxamide group n-acyl-amine beta amino acid or derivatives aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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