DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:42:49 UTC
Update Date	2025-03-21 17:59:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00021621
Frequency	184.7
Structure
Chemical Formula	C₉H₉ClN₂O₆S
Molecular Mass	307.987
SMILES	NS(=O)(=O)c1cc(C(=O)O)c(NCC(=O)O)cc1Cl
InChI Key	YPBDPLPBBPZBDK-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 alpha amino acids amino acids aminosulfonyl compounds aryl chlorides benzenesulfonyl compounds benzoic acids benzoyl derivatives carbonyl compounds chlorobenzenes dicarboxylic acids and derivatives halobenzoic acids hydrocarbon derivatives organic oxides organochlorides organopnictogen compounds organosulfonamides phenylalkylamines secondary alkylarylamines vinylogous amides
Substituents	organosulfonic acid or derivatives carbonyl group carboxylic acid amino acid or derivatives amino acid organochloride benzoyl alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative organohalogen compound organosulfonic acid amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid benzenesulfonyl group aryl chloride chlorobenzene vinylogous amide halobenzoic acid benzenesulfonamide 4-halobenzoic acid aminosulfonyl compound benzoic acid or derivatives halobenzoic acid or derivatives secondary amine secondary aliphatic/aromatic amine aryl halide 4-halobenzoic acid or derivatives aromatic homomonocyclic compound sulfonyl organic oxygen compound organic sulfonic acid or derivatives dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative organic nitrogen compound halobenzene amine organooxygen compound

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