DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:07 UTC
Update Date	2025-03-25 00:58:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233531
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₅N₃O₄
Molecular Mass	301.1063
SMILES	Nc1nc(O)ccc1C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	QLEBTKFIRQHSKK-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	phenylalanine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-halopyridines alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidolactams monocarboxylic acids and derivatives n-acyl-alpha amino acids nicotinamides organic oxides organopnictogen compounds phenylpropanoic acids polyhalopyridines primary amines pyridinecarboxylic acids and derivatives secondary carboxylic acid amides vinylogous amides
Substituents	pyridine carboxylic acid or derivatives monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid polyhalopyridine nicotinamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 2-halopyridine imidolactam organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound hydroxypyridine carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives pyridine phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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