DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:35 UTC
Update Date	2025-03-25 00:51:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186697
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₄N₂O₃
Molecular Mass	234.1004
SMILES	Nc1c(O)cccc1C(=O)C1CCCC(=O)N1
InChI Key	ZVWJWCXLHDMFDR-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	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids amino acids and derivatives aryl alkyl ketones azacyclic compounds benzoyl derivatives carboxylic acids and derivatives delta lactams hydrocarbon derivatives organic oxides organopnictogen compounds piperidinones primary amines secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety lactam aryl alkyl ketone aromatic heteromonocyclic compound amino acid or derivatives benzoyl 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound piperidinone piperidine organoheterocyclic compound vinylogous amide azacycle 1-hydroxy-4-unsubstituted benzenoid carboxamide group delta-lactam secondary carboxylic acid amide phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone

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