DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:22 UTC
Update Date	2025-03-25 00:45:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149656
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₀N₄O₄
Molecular Mass	250.0702
SMILES	CC(=O)C1=Nc2c([nH]c(N)nc2=O)C(C(=O)O)C1
InChI Key	WVRIALQSOYIBTM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pyridopyrimidines
Subclass	pyridopyrimidines
Direct Parent	pyridopyrimidines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives ketimines ketones monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyridines and derivatives pyrimidones vinylogous amides
Substituents	ketimine carbonyl group carboxylic acid amino acid or derivatives amino acid imine pyrimidone carboxylic acid derivative pyrimidine propargyl-type 1,3-dipolar organic compound ketone organic oxide aromatic heteropolycyclic compound organonitrogen compound pyridopyrimidine organopnictogen compound vinylogous amide azacycle heteroaromatic compound organic 1,3-dipolar compound monocarboxylic acid or derivatives pyridine organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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