DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:15:59 UTC
Update Date	2025-03-21 18:34:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00100449
Frequency	27.3
Structure
Chemical Formula	C₁₁H₁₂N₂O₄
Molecular Mass	236.0797
SMILES	CC(=O)NC(=O)CC(=O)c1cccc(O)c1N
InChI Key	WEPZWFDGPMFRJI-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 acetamides amino acids and derivatives aryl alkyl ketones benzoyl derivatives carboxylic acids and derivatives dicarboximides hydrocarbon derivatives n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds primary amines vinylogous amides
Substituents	monocyclic benzene moiety aryl alkyl ketone amino acid or derivatives benzoyl 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative carboxylic acid imide, n-unsubstituted organic oxide organonitrogen compound organopnictogen compound dicarboximide acetamide vinylogous amide 1-hydroxy-4-unsubstituted benzenoid carboxylic acid imide aromatic homomonocyclic compound phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone

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