DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:50 UTC
Update Date	2025-03-25 00:58:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02230610
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₇N₃O₃
Molecular Mass	263.127
SMILES	CNC(=O)C(CC(=O)c1ccccc1N)NC(C)=O
InChI Key	WLBROZIJIIAOMQ-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	n-acyl-alpha amino acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	acetamides alkyl-phenylketones alpha amino acid amides alpha amino acids 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 carbonyl group aryl alkyl ketone fatty amide benzoyl ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound acetamide vinylogous amide alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine phenylketone butyrophenone aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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