DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:15:57 UTC
Update Date	2025-03-21 18:34:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00100371
Frequency	27.3
Structure
Chemical Formula	C₁₃H₁₄N₃O+
Molecular Mass	228.1131
SMILES	NC(=O)c1ccc[n+](Cc2ccccc2N)c1
InChI Key	SDJMLYICSWFBRS-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pyridines and derivatives
Subclass	pyridinecarboxylic acids and derivatives
Direct Parent	pyridinecarboxylic acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds benzene and substituted derivatives carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives nicotinamides organic cations organic oxides organooxygen compounds organopnictogen compounds primary amines primary carboxylic acid amides vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives monocyclic benzene moiety aromatic heteromonocyclic compound amino acid or derivatives nicotinamide carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound organic cation vinylogous amide azacycle heteroaromatic compound carboxamide group organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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