DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:02:07 UTC
Update Date	2025-03-21 18:07:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00067211
Frequency	45.3
Structure
Chemical Formula	C₁₃H₁₆N₂O₄
Molecular Mass	264.111
SMILES	CC(=O)NC(CC(=O)O)CC(=O)c1ccccc1N
InChI Key	AMBIEXCOSRPPBZ-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	acetamides amino acids amino fatty acids aryl alkyl ketones benzoyl derivatives beta amino acids and derivatives butyrophenones carbocyclic fatty acids carboxylic acids hydrocarbon derivatives medium-chain fatty acids monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid benzoyl fatty acid carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid acetamide vinylogous amide carboxamide group amino fatty acid beta amino acid or derivatives butyrophenone aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone

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