DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:42:32 UTC
Update Date	2025-03-21 17:59:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00021002
Frequency	191.3
Structure
Chemical Formula	C₁₃H₂₁N₂O+
Molecular Mass	221.1648
SMILES	Cc1cccc(C)c1NC(=O)C[N+](C)(C)C
InChI Key	QYUXPWDVDMSTKR-UHFFFAOYSA-O
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 homomonocyclic compounds
Alternative Parents	alpha amino acids amines anilides carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives n-arylamides organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides tetraalkylammonium salts m-xylenes
Substituents	monocyclic benzene moiety carbonyl group n-arylamide xylene organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt alpha-amino acid amide tetraalkylammonium salt quaternary ammonium salt m-xylene carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

Showing information for DMID00021002