DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:43 UTC
Update Date	2025-03-25 00:54:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207451
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₂N₄O₂
Molecular Mass	256.096
SMILES	Nc1nc(=O)c2c(C(O)c3ccccc3)c[nH]c2[nH]1
InChI Key	ZSHZEBJYQPPXTC-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	aromatic alcohols azacyclic compounds benzene and substituted derivatives heteroaromatic compounds hydrocarbon derivatives organic oxides organopnictogen compounds primary amines pyrimidones pyrroles secondary alcohols vinylogous amides
Substituents	aromatic alcohol monocyclic benzene moiety pyrimidone pyrimidine organic oxide pyrrolo[2,3-d]pyrimidine aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound alcohol vinylogous amide azacycle heteroaromatic compound organic oxygen compound pyrrole secondary alcohol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

Showing information for DMID02207451