DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:49 UTC
Update Date	2025-03-25 00:50:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180376
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₉N₂O₂+
Molecular Mass	223.1441
SMILES	C[N+](C)(C)CCNc1ccccc1C(=O)O
InChI Key	JXOVWQAEISZYJQ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	benzoic acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds amino acids benzoyl derivatives hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organooxygen compounds organopnictogen compounds phenylalkylamines secondary alkylarylamines tetraalkylammonium salts vinylogous amides
Substituents	carboxylic acid amino acid or derivatives amino acid benzoyl carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound organic cation benzoic acid organic salt vinylogous amide tetraalkylammonium salt quaternary ammonium salt secondary amine secondary aliphatic/aromatic amine aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound phenylalkylamine hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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