DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:50 UTC
Update Date	2025-03-21 18:40:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00129060
Frequency	19.7
Structure
Chemical Formula	C₁₄H₁₆N₈O
Molecular Mass	312.1447
SMILES	N=C(N)c1ccc(NCC2=Nc3c([nH]c(N)nc3=O)NC2)cc1
InChI Key	HZRZFWIAYUCAIH-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	amidines azacyclic compounds benzene and substituted derivatives carboximidamides heteroaromatic compounds hydrocarbon derivatives ketimines organic oxides 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 amidine pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound carboximidamide 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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