DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:08 UTC
Update Date	2025-03-25 00:47:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160477
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₂N₂O₅
Molecular Mass	252.0746
SMILES	Nc1ccc(C(=O)CC(=O)NCC(=O)O)cc1O
InChI Key	TXHNBNPNCLVMJK-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	acyl glycines
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alkyl-phenylketones alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives carboxylic acids fatty amides hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone amino acid fatty amide benzoyl 1-hydroxy-2-unsubstituted benzenoid ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 1-hydroxy-4-unsubstituted benzenoid carboxamide group n-acylglycine phenylketone aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

Showing information for DMID02160477