DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:15 UTC
Update Date	2025-03-25 00:57:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224997
Frequency	0.5
Structure
Chemical Formula	C₁₂H₉N₅O₂
Molecular Mass	255.0756
SMILES	Nc1ncnc2c1cnn2-c1ccc(C(=O)O)cc1
InChI Key	SWCHLBSYGRBBMJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	azoles
Subclass	pyrazoles
Direct Parent	phenylpyrazoles
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds benzoic acids benzoyl derivatives carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidolactams monocarboxylic acids and derivatives organic oxides organooxygen compounds organopnictogen compounds primary amines pyrazolo[3,4-d]pyrimidines pyrimidines and pyrimidine derivatives
Substituents	monocyclic benzene moiety carboxylic acid amino acid or derivatives amino acid benzoyl carboxylic acid derivative pyrimidine phenylpyrazole organic oxide pyrazolopyrimidine aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound benzoic acid imidolactam pyrazolo[3,4-d]pyrimidine azacycle heteroaromatic compound benzoic acid or derivatives monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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