DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:08 UTC
Update Date	2025-03-25 00:47:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160475
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₄N₂O₂
Molecular Mass	266.1055
SMILES	Nc1ccc(C(=O)CC2C(O)=Nc3ccccc32)cc1
InChI Key	VKLJZNVLQOEDLP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbonyl compounds
Direct Parent	alkyl-phenylketones
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	3-alkylindoles aryl alkyl ketones azacyclic compounds benzoyl derivatives cyclic carboximidic acids hydrocarbon derivatives organic oxides organooxygen compounds organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds
Substituents	monocyclic benzene moiety aryl alkyl ketone indole benzoyl 3-alkylindole propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound organoheterocyclic compound azacycle indole or derivatives organic 1,3-dipolar compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound cyclic carboximidic acid amine alkyl-phenylketone

Showing information for DMID02160475