DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:50 UTC
Update Date	2025-03-25 00:58:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02230604
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₄N₂O₃
Molecular Mass	222.1004
SMILES	CNC(=O)CCC(=O)c1cc(O)ccc1N
InChI Key	YVDJNCORESYAAW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbonyl compounds
Direct Parent	alkyl-phenylketones
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids amino acids and derivatives aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids and derivatives hydrocarbon derivatives n-acyl amines organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety aryl alkyl ketone amino acid or derivatives fatty amide benzoyl 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound vinylogous amide carboxamide group n-acyl-amine butyrophenone aromatic homomonocyclic compound secondary carboxylic acid amide phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone

Showing information for DMID02230604