DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:26 UTC
Update Date	2025-03-25 00:56:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02218515
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₆N₄O₄
Molecular Mass	316.1172
SMILES	Cc1ncc(C(=O)NC(Cc2ccc(O)cc2)C(=O)O)c(N)n1
InChI Key	OZSVOJFRPHSEIX-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	tyrosine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidolactams monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids primary amines pyrimidinecarboxylic acids and derivatives secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid 1-hydroxy-2-unsubstituted benzenoid pyrimidine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives vinylogous amide tyrosine or derivatives azacycle n-acyl-alpha-amino acid heteroaromatic compound pyrimidine-5-carboxylic acid or derivatives carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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