DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:13 UTC
Update Date	2025-03-25 01:00:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240604
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₈FN₃O₃
Molecular Mass	319.1332
SMILES	CC(=O)c1c[nH]c2c(O)c(N3CCN(C)CC3)c(F)cc2c1=O
InChI Key	MNLXJNXTSPZVGB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	quinolines and derivatives
Subclass	quinolones and derivatives
Direct Parent	fluoroquinolones
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-4-unsubstituted benzenoids 2-halopyridines 8-hydroxyquinolines aminoquinolines and derivatives aryl alkyl ketones aryl fluorides azacyclic compounds benzenoids dialkylarylamines haloquinolines heteroaromatic compounds hydrocarbon derivatives hydroquinolines hydroquinolones hydroxypyridines m-fluorophenols methylpyridines n-arylpiperazines n-methylpiperazines organic oxides organofluorides organooxygen compounds organopnictogen compounds polyhalopyridines trialkylamines vinylogous amides
Substituents	aryl fluoride aryl alkyl ketone polyhalopyridine organohalogen compound ketone haloquinoline organic oxide piperazine aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organonitrogen compound organopnictogen compound fluoroquinolone 2-halopyridine dialkylarylamine tertiary amine vinylogous amide 8-hydroxyquinoline azacycle organofluoride n-alkylpiperazine heteroaromatic compound tertiary aliphatic amine hydroxypyridine dihydroquinoline n-methylpiperazine methylpyridine 1-hydroxy-4-unsubstituted benzenoid 3-fluorophenol aryl halide dihydroquinolone pyridine organic oxygen compound 1,4-diazinane aminoquinoline hydrocarbon derivative benzenoid organic nitrogen compound amine n-arylpiperazine organooxygen compound aryl ketone

Showing information for DMID02240604