DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:56 UTC
Update Date	2025-03-25 00:54:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02203386
Frequency	0.5
Structure
Chemical Formula	C₂₁H₁₈FNO₇
Molecular Mass	415.1067
SMILES	O=C(O)C1OC(Oc2cccc3ccc(-c4ccc(F)cc4)nc23)C(O)C(O)C1O
InChI Key	YTPGSBBBOFTSRN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	quinolines and derivatives
Subclass	phenylquinolines
Direct Parent	phenylquinolines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines acetals aryl fluorides azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids fluorobenzenes glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides organofluorides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenol ethers polyhalopyridines pyran carboxylic acids secondary alcohols
Substituents	aryl fluoride phenol ether monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives phenylquinoline polyhalopyridine o-glucuronide monosaccharide carboxylic acid derivative organohalogen compound pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid fluorobenzene saccharide organic oxide acetal aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 2-halopyridine oxane alcohol pyran carboxylic acid or derivatives azacycle organofluoride heteroaromatic compound hydroxypyridine hydroxy acid aryl halide oxacycle monocarboxylic acid or derivatives pyridine organic oxygen compound pyran secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound halobenzene organooxygen compound

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