DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:43 UTC
Update Date	2025-03-21 18:30:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00083082
Frequency	34.7
Structure
Chemical Formula	C₁₂H₁₄N₂O₄
Molecular Mass	250.0954
SMILES	Nc1ccccc1C(=O)CC(=O)CC(N)C(=O)O
InChI Key	MARIEFDAUZLPCF-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	alpha amino acids amino acids amino fatty acids aryl alkyl ketones benzoyl derivatives butyrophenones carbocyclic fatty acids carboxylic acids fatty acyls gamma-keto acids and derivatives hydrocarbon derivatives medium-chain keto acids and derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds vinylogous amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid benzoyl alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound vinylogous amide amino fatty acid gamma-keto acid butyrophenone aromatic homomonocyclic compound monocarboxylic acid or derivatives keto acid hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone medium-chain keto acid

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