DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:28 UTC
Update Date	2025-03-21 18:41:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00132866
Frequency	19.0
Structure
Chemical Formula	C₁₁H₁₁N₃O₃
Molecular Mass	233.08
SMILES	Nc1ccccc1C(=O)CC1NC(=O)NC1=O
InChI Key	UCBGWUHITZJDOK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbonyl compounds
Direct Parent	alkyl-phenylketones
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids aryl alkyl ketones azacyclic compounds benzoyl derivatives carboxylic acids and derivatives dicarboximides hydantoins hydrocarbon derivatives imidazolidinones organic carbonic acids and derivatives organic oxides organopnictogen compounds primary amines vinylogous amides
Substituents	imidazolidine monocyclic benzene moiety aryl alkyl ketone aromatic heteromonocyclic compound amino acid or derivatives benzoyl alpha-amino acid or derivatives carboxylic acid derivative imidazolidinone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide organoheterocyclic compound vinylogous amide carbonic acid derivative azacycle hydantoin hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone

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