DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:49 UTC
Update Date	2025-03-25 00:49:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02175773
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₄N₄O₄
Molecular Mass	302.1015
SMILES	NC(=O)c1cn(C(Cc2ccccc2)C(=O)O)c(=O)nc1N
InChI Key	VAGAJYYFCZAXNS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	phenylpropanoic acids
Subclass	phenylpropanoic acids
Direct Parent	phenylpropanoic acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids and derivatives amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidolactams monocarboxylic acids and derivatives organic carbonic acids and derivatives organic oxides organopnictogen compounds primary amines primary carboxylic acid amides pyrimidinecarboxylic acids and derivatives pyrimidones vinylogous amides
Substituents	primary carboxylic acid amide monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid or derivatives amino acid pyrimidone alpha-amino acid or derivatives carboxylic acid derivative pyrimidine organic oxide organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound amphetamine or derivatives vinylogous amide carbonic acid derivative azacycle heteroaromatic compound pyrimidine-5-carboxylic acid or derivatives carboxamide group monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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