DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:04 UTC
Update Date	2025-03-25 00:47:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160326
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₄N₄O₄
Molecular Mass	290.1015
SMILES	Nc1c(O)cccc1C(=O)NC(Cc1c[nH]cn1)C(=O)O
InChI Key	IIWFNRJTXVIABT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	hippuric acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid benzoyl 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives vinylogous amide azacycle n-acyl-alpha-amino acid hippuric acid or derivatives heteroaromatic compound 1-hydroxy-4-unsubstituted benzenoid carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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