DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:23:11 UTC
Update Date	2025-03-25 01:02:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02254321
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₂N₆O₂
Molecular Mass	342.1804
SMILES	CC(C)(C)c1cc(NCC2=Nc3c([nH]c(N)nc3=O)NC2)ccc1O
InChI Key	CMYJXWWJICUNBH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pterins and derivatives
Direct Parent	pterins and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids azacyclic compounds heteroaromatic compounds hydrocarbon derivatives ketimines organic oxides organooxygen compounds organopnictogen compounds phenylalkylamines phenylpropanes primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines vinylogous amides
Substituents	ketimine monocyclic benzene moiety imine 1-hydroxy-2-unsubstituted benzenoid pyrimidone pyrimidine propargyl-type 1,3-dipolar organic compound phenylpropane organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine organic oxygen compound phenylalkylamine phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

Showing information for DMID02254321