DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:46 UTC
Update Date	2025-03-21 18:38:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00121816
Frequency	21.3
Structure
Chemical Formula	C₁₂H₁₆N₂O₄
Molecular Mass	252.111
SMILES	CC(NC(Cc1ccc(O)cc1)C(N)=O)C(=O)O
InChI Key	KWOKRZUXSLSFAD-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 alanine and derivatives alpha amino acids amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines fatty amides hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylalanine and derivatives primary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid amino acid fatty amide 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives secondary aliphatic amine tyrosine or derivatives secondary amine carboxamide group aromatic homomonocyclic compound monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound alanine or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

Showing information for DMID00121816