DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:26 UTC
Update Date	2025-03-25 00:59:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236575
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₃N₅O₃
Molecular Mass	299.1018
SMILES	COc1cccc(C(=O)C2=Nc3c([nH]c(N)nc3=O)NC2)c1
InChI Key	KPUFAKSRAYKPAE-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 aryl ethers anisoles aryl ketones azacyclic compounds benzoyl derivatives heteroaromatic compounds hydrocarbon derivatives ketimines methoxybenzenes organic oxides organopnictogen compounds phenoxy compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines vinylogous amides
Substituents	phenol ether ketimine monocyclic benzene moiety ether imine benzoyl pyrimidone alkyl aryl ether pyrimidine propargyl-type 1,3-dipolar organic compound ketone organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine methoxybenzene secondary aliphatic/aromatic amine organic oxygen compound anisole hydrocarbon derivative benzenoid primary amine organic nitrogen compound phenoxy compound amine organooxygen compound aryl ketone

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