DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:03:41 UTC
Update Date	2025-03-21 18:28:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00070968
Frequency	42.3
Structure
Chemical Formula	C₁₃H₁₉N₂O₄+
Molecular Mass	267.1339
SMILES	C[N+](C)(C)C(CC(=O)c1cccc(O)c1N)C(=O)O
InChI Key	JFUPHHZPKFCFCD-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbonyl compounds
Direct Parent	alkyl-phenylketones
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives beta-amino ketones butyrophenones carboxylic acids gamma-keto acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds primary amines tetraalkylammonium salts vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid benzoyl 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative organic oxide alpha-amino acid organonitrogen compound organopnictogen compound organic cation beta-aminoketone organic salt vinylogous amide tetraalkylammonium salt quaternary ammonium salt 1-hydroxy-4-unsubstituted benzenoid gamma-keto acid butyrophenone aromatic homomonocyclic compound monocarboxylic acid or derivatives keto acid phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone

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