DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:35 UTC
Update Date	2025-03-25 00:49:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02177603
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₄N₂O₅+
Molecular Mass	266.0897
SMILES	[N+]C(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	UAKQUUTWCWLVBJ-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	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic cations organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids primary alcohols secondary carboxylic acid amides serine and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation primary alcohol amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol tyrosine or derivatives n-acyl-alpha-amino acid carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound serine or derivatives organooxygen compound

Showing information for DMID02177603