DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:08 UTC
Update Date	2025-03-25 00:59:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02235924
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₀N₄O₉
Molecular Mass	400.123
SMILES	OCC1OC(Oc2ncnc3c2cnn3C2OC(CO)C(O)C2O)C(O)C1O
InChI Key	QVOJQHDSBGKIER-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	acetals azacyclic compounds heteroaromatic compounds hydrocarbon derivatives monosaccharides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols pyrazoles pyrazolo[3,4-d]pyrimidines pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pyrazolo[3,4-d]pyrimidine glycoside monosaccharide pyrazole pyrimidine saccharide pyrazolopyrimidine acetal aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound primary alcohol organoheterocyclic compound azole pyrazolo[3,4-d]pyrimidine alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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