DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:48 UTC
Update Date	2025-03-25 00:59:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237383
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₁N₃O₂
Molecular Mass	275.1634
SMILES	Nc1ccccc1C(=O)CC(N)C(=O)N1CCCCC1
InChI Key	WMGMSRFLISQCQP-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 acid amides alpha amino acids aryl alkyl ketones azacyclic compounds benzoyl derivatives butyrophenones carboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acylpiperidines organic oxides organopnictogen compounds tertiary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety aryl alkyl ketone aromatic heteromonocyclic compound amino acid or derivatives benzoyl alpha-amino acid or derivatives carboxylic acid derivative organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound piperidine organoheterocyclic compound vinylogous amide alpha-amino acid amide azacycle carboxamide group butyrophenone n-acyl-piperidine hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone

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