DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:38 UTC
Update Date	2025-03-25 00:54:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207239
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₇N₅O₅
Molecular Mass	311.123
SMILES	Nc1nc(N)c2c(C3OC(CO)C(O)C(O)C3O)c[nH]c2n1
InChI Key	NONNVKYCNBNAQR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pyrrolopyrimidines
Subclass	pyrrolo[2,3-d]pyrimidines
Direct Parent	pyrrolo[2,3-d]pyrimidines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds dialkyl ethers heteroaromatic compounds hydrocarbon derivatives imidolactams monosaccharides organopnictogen compounds oxacyclic compounds oxanes primary alcohols primary amines pyrimidines and pyrimidine derivatives pyrroles secondary alcohols
Substituents	ether monosaccharide dialkyl ether pyrimidine saccharide pyrrolo[2,3-d]pyrimidine aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol imidolactam alcohol azacycle heteroaromatic compound oxacycle organic oxygen compound pyrrole secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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