DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:48 UTC
Update Date	2025-03-21 18:41:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00135872
Frequency	18.5
Structure
Chemical Formula	C₁₁H₁₅N₂O₆+
Molecular Mass	271.0925
SMILES	Nc1cc[n+](C2OC(CO)C(O)C2O)cc1C(=O)O
InChI Key	FYEBWHCXONMZDU-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pyridines and derivatives
Subclass	pyridinecarboxylic acids and derivatives
Direct Parent	pyridine-3-carboxylic acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds amino acids azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monocarboxylic acids and derivatives monosaccharides organic cations organic oxides organopnictogen compounds oxacyclic compounds polyhalopyridines primary alcohols primary amines secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid pyridine-3-carboxylic acid polyhalopyridine monosaccharide carboxylic acid derivative saccharide organic oxide organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound organic cation primary alcohol alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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