DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:23 UTC
Update Date	2025-03-21 18:28:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00075039
Frequency	39.5
Structure
Chemical Formula	C₃₂H₃₄FN₃O₃
Molecular Mass	527.2584
SMILES	CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCCCC(N)C(=O)O
InChI Key	LSXSYVJUHTUYBR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	anilides
Direct Parent	aromatic anilides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids aryl fluorides azacyclic compounds carbonyl compounds carboxylic acids fluorobenzenes halogenated fatty acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organofluorides organonitrogen compounds organopnictogen compounds pyrrole carboxamides secondary carboxylic acid amides substituted pyrroles vinylogous amides
Substituents	aryl fluoride fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound pyrrole-3-carboxylic acid or derivatives heterocyclic fatty acid fatty acid alpha-amino acid or derivatives substituted pyrrole carboxylic acid derivative organohalogen compound aromatic anilide fluorobenzene organic oxide organonitrogen compound pyrrole-3-carboxamide alpha-amino acid organopnictogen compound medium-chain fatty acid organoheterocyclic compound halogenated fatty acid vinylogous amide azacycle organofluoride heteroaromatic compound carboxamide group aryl halide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative primary aliphatic amine organic nitrogen compound halobenzene organooxygen compound

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