DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:45:48 UTC
Update Date	2025-03-21 18:00:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00028520
Frequency	141.6
Structure
Chemical Formula	C₁₁H₁₄N₄O₆
Molecular Mass	298.0913
SMILES	Cn1c(=O)[nH]c2c(cnn2C2OC(CO)C(O)C2O)c1=O
InChI Key	UPYZUDZHVVLKGC-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	alkaloids and derivatives azacyclic compounds heteroaromatic compounds hydrocarbon derivatives lactams monosaccharides organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols pyrazoles pyrazolo[3,4-d]pyrimidines pyrimidones secondary alcohols tetrahydrofurans vinylogous amides xanthines
Substituents	lactam pyrazolo[3,4-d]pyrimidine glycoside monosaccharide pyrimidone pyrazole pyrimidine saccharide organic oxide pyrazolopyrimidine aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound primary alcohol organoheterocyclic compound azole pyrazolo[3,4-d]pyrimidine alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound xanthine oxacycle alkaloid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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