DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:48 UTC
Update Date	2025-03-25 00:46:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02155384
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₀N₂O
Molecular Mass	220.1576
SMILES	Cc1ccccc1NC(=O)C(N)CC(C)C
InChI Key	VQWMOPGTQZALEJ-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	leucine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids anilides carbonyl compounds carboxylic acids and derivatives fatty amides hydrocarbon derivatives monoalkylamines n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides toluenes
Substituents	fatty acyl monocyclic benzene moiety carbonyl group fatty amide n-arylamide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound alpha-amino acid amide carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound toluene organooxygen compound

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