DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:36 UTC
Update Date	2025-03-21 18:05:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00058842
Frequency	53.6
Structure
Chemical Formula	C₁₂H₁₄N₄O₆
Molecular Mass	310.0913
SMILES	Nc1c(C(=O)O)cnc2c1ncn2C1OC(CO)C(O)C1O
InChI Key	YBTZEOCISVBFFK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	imidazopyridines
Subclass	imidazopyridines
Direct Parent	imidazopyridines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 2-halopyridines amino acids azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds polyhalopyridines primary alcohols primary amines pyridine-3-carboxylic acids secondary alcohols tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carboxylic acid amino acid or derivatives amino acid pyridine-3-carboxylic acid polyhalopyridine monosaccharide imidazopyridine carboxylic acid derivative saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound 2-halopyridine primary alcohol azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine oxacycle monocarboxylic acid or derivatives pyridine organic oxygen compound pyridine carboxylic acid secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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