DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:04:21 UTC
Update Date	2025-03-25 00:55:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02211387
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₈N₄O₇
Molecular Mass	342.1175
SMILES	CC(=O)Nc1c(N)n(C2OC(CO)C(O)C2O)cc(C(N)=O)c1=O
InChI Key	OMUBKEYSOPISPR-UHFFFAOYSA-N
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 acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives cyclic ketones heteroaromatic compounds hydrocarbon derivatives hydroxypyridines methylpyridines monosaccharides n-acetylarylamines nicotinamides organic oxides organopnictogen compounds oxacyclic compounds polyhalopyridines primary alcohols primary amines primary carboxylic acid amides secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives carbonyl group n-acetylarylamine aromatic heteromonocyclic compound amino acid or derivatives polyhalopyridine nicotinamide monosaccharide n-arylamide cyclic ketone carboxylic acid derivative saccharide organic oxide organonitrogen compound organopnictogen compound 2-halopyridine primary alcohol acetamide alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine methylpyridine carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

Showing information for DMID02211387