DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:50 UTC
Update Date	2025-03-25 00:59:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237462
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₃F₅N₆O
Molecular Mass	388.1071
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(F)(F)C(F)(F)F)cc1)=N2
InChI Key	MYKMWEMMROUJBZ-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	alkyl fluorides azacyclic compounds benzene and substituted derivatives heteroaromatic compounds hydrocarbon derivatives ketimines organic oxides organofluorides organooxygen compounds organopnictogen compounds phenylalkylamines primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines vinylogous amides
Substituents	ketimine monocyclic benzene moiety imine pyrimidone organohalogen compound pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound alkyl halide vinylogous amide pterin azacycle alkyl fluoride organofluoride heteroaromatic compound organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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