DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:27 UTC
Update Date	2025-03-25 01:01:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02248131
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₂N₂O
Molecular Mass	246.1732
SMILES	Cc1cccc(C)c1NC(=O)C(C)N1CCCC1
InChI Key	MGBIINXEYXQNSC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	alpha amino acid amides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alanine and derivatives alpha amino acids anilides azacyclic compounds carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives n-alkylpyrrolidines n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides trialkylamines m-xylenes
Substituents	monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound n-arylamide xylene organic oxide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound alpha-amino acid amide azacycle n-alkylpyrrolidine tertiary aliphatic amine m-xylene carboxamide group anilide secondary carboxylic acid amide organic oxygen compound alanine or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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