DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:46 UTC
Update Date	2025-03-21 18:37:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00114637
Frequency	23.0
Structure
Chemical Formula	C₁₁H₁₃N₅O₇
Molecular Mass	327.0815
SMILES	Nc1nc2c(c(C(=O)O)nn2C2OC(CO)C(O)C2O)c(=O)[nH]1
InChI Key	DSCBXQMPFMHPTH-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	amino acids azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives lactams monocarboxylic acids and derivatives 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 carboxylic acid amino acid or derivatives amino acid pyrazolo[3,4-d]pyrimidine glycoside monosaccharide pyrimidone carboxylic acid derivative 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 azacycle tetrahydrofuran heteroaromatic compound oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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