DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:06 UTC
Update Date	2025-03-25 00:59:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02238062
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₂N₂O₆
Molecular Mass	304.0695
SMILES	O=C(O)CC(NC(=O)c1ccc2cc(O)ccc2n1)C(=O)O
InChI Key	RKYMPUXINACHIX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	aspartic acid and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 2-halopyridines 2-heteroaryl carboxamides alpha amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines hydroxyquinolines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds polyhalopyridines pyridinecarboxylic acids and derivatives quinoline carboxamides secondary carboxylic acid amides
Substituents	pyridine carboxylic acid or derivatives carbonyl group carboxylic acid polyhalopyridine 1-hydroxy-2-unsubstituted benzenoid 2-heteroaryl carboxamide organic oxide aromatic heteropolycyclic compound organonitrogen compound quinoline alpha-amino acid organopnictogen compound 2-halopyridine organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid heteroaromatic compound hydroxypyridine carboxamide group hydroxyquinoline secondary carboxylic acid amide pyridine organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound quinoline-2-carboxamide organooxygen compound

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