DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:13 UTC
Update Date	2025-03-25 01:00:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240607
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₅N₅O₆
Molecular Mass	325.1022
SMILES	CC(=O)c1nn(C2OC(CO)C(O)C2O)c2nc(N)[nH]c(=O)c12
InChI Key	OTMUBDFPEPBMNK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrazolo[3,4-d]pyrimidine glycosides
Subclass	pyrazolo[3,4-d]pyrimidine glycosides
Direct Parent	pyrazolo[3,4-d]pyrimidine glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	aryl alkyl ketones azacyclic compounds heteroaromatic compounds hydrocarbon derivatives lactams monosaccharides organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines pyrazoles pyrazolo[3,4-d]pyrimidines pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam aryl alkyl ketone pyrazolo[3,4-d]pyrimidine glycoside monosaccharide pyrimidone pyrazole pyrimidine ketone saccharide organic oxide pyrazolopyrimidine aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound primary alcohol organoheterocyclic compound azole pyrazolo[3,4-d]pyrimidine alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound aryl ketone

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