DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:05 UTC
Update Date	2025-03-21 18:30:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00081585
Frequency	35.5
Structure
Chemical Formula	C₁₃H₁₆N₂O₅
Molecular Mass	280.1059
SMILES	NC(=O)CC(NC(Cc1ccccc1)C(=O)O)C(=O)O
InChI Key	CRYBZOCULQWHBP-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	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids amphetamines and derivatives asparagine and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty amides hydrocarbon derivatives organic oxides organopnictogen compounds phenylpropanoic acids primary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives amphetamine or derivatives secondary aliphatic amine secondary amine carboxamide group aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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