DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:42 UTC
Update Date	2025-03-21 18:38:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00121643
Frequency	21.3
Structure
Chemical Formula	C₁₄H₁₅N₇O₂
Molecular Mass	313.1287
SMILES	NC(=O)c1cccc(NCC2=Nc3c([nH]c(N)nc3=O)NC2)c1
InChI Key	AVUWNEDWVJCVOS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pterins and derivatives
Direct Parent	pterins and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds benzamides benzoyl derivatives carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives ketimines organic oxides organooxygen compounds organopnictogen compounds phenylalkylamines primary amines primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines vinylogous amides
Substituents	primary carboxylic acid amide ketimine monocyclic benzene moiety amino acid or derivatives imine benzoyl pyrimidone carboxylic acid derivative benzamide pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound vinylogous amide pterin azacycle heteroaromatic compound benzoic acid or derivatives organic 1,3-dipolar compound secondary amine carboxamide group secondary aliphatic/aromatic amine organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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