DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:16:12 UTC
Update Date	2025-03-21 18:34:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00101012
Frequency	27.1
Structure
Chemical Formula	C₂₅H₂₉FN₂O₅
Molecular Mass	456.206
SMILES	CC(C)c1nc(-c2ccc(O)cc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O
InChI Key	BEOPKYIANFOZBH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	azoles
Subclass	imidazoles
Direct Parent	phenylimidazoles
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids aryl fluorides azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids fluorobenzenes halogenated fatty acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazoles medium-chain fatty acids medium-chain hydroxy acids and derivatives monocarboxylic acids and derivatives n-substituted imidazoles organic oxides organofluorides organonitrogen compounds organopnictogen compounds secondary alcohols
Substituents	aryl fluoride fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid 1-hydroxy-2-unsubstituted benzenoid fatty acid carboxylic acid derivative organohalogen compound medium-chain hydroxy acid 4-phenylimidazole beta-hydroxy acid fluorobenzene organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid n-substituted imidazole alcohol halogenated fatty acid azacycle organofluoride heteroaromatic compound hydroxy acid aryl halide 5-phenylimidazole monocarboxylic acid or derivatives organic oxygen compound secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound halobenzene organooxygen compound

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