DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:06 UTC
Update Date	2025-03-25 00:49:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171819
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₄N₂O
Molecular Mass	260.1889
SMILES	CN(C)CCCN1C(=O)CCC1Cc1ccccc1
InChI Key	VDKHOQGQPFGWHF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzene and substituted derivatives
Direct Parent	benzene and substituted derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives lactams n-alkylpyrrolidines organic oxides organopnictogen compounds pyrrolidine-2-ones tertiary carboxylic acid amides trialkylamines
Substituents	2-pyrrolidone monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound amino acid or derivatives carboxylic acid derivative organic oxide tertiary carboxylic acid amide organonitrogen compound organopnictogen compound pyrrolidine pyrrolidone tertiary amine organoheterocyclic compound azacycle n-alkylpyrrolidine tertiary aliphatic amine carboxamide group organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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