DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:32 UTC
Update Date	2025-03-25 00:51:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184210
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₄N₂O₃
Molecular Mass	270.1004
SMILES	NC(C(=O)O)C(=O)c1ccc(Nc2ccccc2)cc1
InChI Key	RSAOGGDCJHBHCW-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	1,3-dicarbonyl compounds alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylpropanoic acids secondary amines
Substituents	beta-hydroxy ketone monocyclic benzene moiety carboxylic acid aryl alkyl ketone 3-phenylpropanoic-acid amino acid or derivatives amino acid benzoyl alpha-amino acid or derivatives carboxylic acid derivative beta-keto acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary amine aromatic homomonocyclic compound monocarboxylic acid or derivatives keto acid hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound alkyl-phenylketone amine

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