DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:40:37 UTC
Update Date	2025-03-21 17:58:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00016729
Frequency	408.8
Structure
Chemical Formula	C₁₁H₁₄N₂O₄
Molecular Mass	238.0954
SMILES	NC(Cc1ccccc1)C(=O)NC(O)C(=O)O
InChI Key	GGBPBDSIOKDODB-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	dipeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkanolamines alpha amino acid amides alpha amino acids alpha hydroxy acids and derivatives amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-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 alpha-hydroxy acid fatty amide alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alkanolamine n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid hydroxy acid carboxamide group aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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