DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:55 UTC
Update Date	2025-03-25 00:54:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205617
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₇ClN₂O₈S
Molecular Mass	396.0394
SMILES	NS(=O)(=O)c1cc(C(=O)O)c(NC2C(O)C(O)C(CO)C2O)cc1Cl
InChI Key	KOIIKWCQMZWFND-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzenesulfonamides
Direct Parent	benzenesulfonamides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 4-halobenzoic acids amino acids aminosulfonyl compounds aryl chlorides benzenesulfonyl compounds benzoic acids benzoyl derivatives chlorobenzenes cyclitols and derivatives cyclopentanols halobenzoic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organochlorides organopnictogen compounds organosulfonamides phenylalkylamines primary alcohols secondary alkylarylamines vinylogous amides
Substituents	carboxylic acid amino acid or derivatives organochloride benzoyl organonitrogen compound 1-carboxy-2-haloaromatic compound benzenesulfonyl group aryl chloride chlorobenzene alcohol vinylogous amide halobenzoic acid benzenesulfonamide 4-halobenzoic acid cyclitol or derivatives secondary aliphatic/aromatic amine aryl halide 4-halobenzoic acid or derivatives aromatic homomonocyclic compound hydrocarbon derivative halobenzene amine organosulfonic acid or derivatives amino acid organosulfur compound carboxylic acid derivative organohalogen compound organosulfonic acid amide organic oxide organopnictogen compound benzoic acid primary alcohol aminosulfonyl compound benzoic acid or derivatives halobenzoic acid or derivatives cyclic alcohol secondary amine cyclopentanol monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives secondary alcohol phenylalkylamine organic nitrogen compound organooxygen compound

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