DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:10:05 UTC
Update Date	2025-03-21 18:31:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00086304
Frequency	33.0
Structure
Chemical Formula	C₁₀H₁₂N₂O₃
Molecular Mass	208.0848
SMILES	CNC(=O)CC(=O)c1cccc(O)c1N
InChI Key	MCKVBQXIHTXTEN-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 1-hydroxy-4-unsubstituted benzenoids amino acids and derivatives aryl alkyl ketones benzoyl derivatives carboxylic acids and derivatives fatty amides hydrocarbon derivatives 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 1-hydroxy-4-unsubstituted benzenoid carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone

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