DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:51 UTC
Update Date	2025-03-21 18:41:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00136003
Frequency	18.4
Structure
Chemical Formula	C₁₂H₁₉N₂O₂+
Molecular Mass	223.1441
SMILES	CC(C(=O)Nc1ccc(O)cc1)[N+](C)(C)C
InChI Key	NBJFRRDGYZUPFJ-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	1-hydroxy-2-unsubstituted benzenoids alanine and derivatives 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
Substituents	monocyclic benzene moiety carbonyl group 1-hydroxy-2-unsubstituted benzenoid n-arylamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt alpha-amino acid amide tetraalkylammonium salt quaternary ammonium salt carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide organic oxygen compound alanine or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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