DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:15 UTC
Update Date	2025-03-25 01:01:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252265
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₆N₂O₄S
Molecular Mass	284.0831
SMILES	NS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)O)c1
InChI Key	JBCZTTYROHVFMJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	piperidines
Subclass	phenylpiperidines
Direct Parent	phenylpiperidines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds amino acids aminobenzenesulfonamides aminobenzoic acids and derivatives aminosulfonyl compounds aniline and substituted anilines azacyclic compounds benzenesulfonyl compounds benzoic acids benzoyl derivatives dialkylarylamines hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organooxygen compounds organopnictogen compounds organosulfonamides vinylogous amides
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety aminobenzenesulfonamide carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid benzoyl organosulfur compound carboxylic acid derivative organosulfonic acid amide organic oxide tertiary aliphatic/aromatic amine organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid dialkylarylamine aminobenzoic acid or derivatives tertiary amine benzenesulfonyl group vinylogous amide benzenesulfonamide azacycle aminosulfonyl compound aniline or substituted anilines benzoic acid or derivatives monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives phenylpiperidine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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