DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:41 UTC
Update Date	2025-03-25 00:59:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02234888
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₅N₆O+
Molecular Mass	259.1302
SMILES	Cc1ncc(C[n+]2cccc(N)c2C(N)=O)c(N)n1
InChI Key	RUNDNKZKMSOLLV-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	2-halopyridines 2-heteroaryl carboxamides amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams methylpyridines organic cations organic oxides organooxygen compounds organopnictogen compounds polyhalopyridines primary amines primary carboxylic acid amides pyrimidines and pyrimidine derivatives vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives aromatic heteromonocyclic compound amino acid or derivatives polyhalopyridine carboxylic acid derivative 2-heteroaryl carboxamide pyrimidine organic oxide organonitrogen compound organopnictogen compound 2-halopyridine organic cation imidolactam vinylogous amide azacycle heteroaromatic compound methylpyridine carboxamide group organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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