DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:05 UTC
Update Date	2025-03-25 00:57:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224635
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₂ClN₃O₉S₃
Molecular Mass	484.9424
SMILES	NS(=O)(=O)c1ccc(Nc2cc(Cl)c(S(N)(=O)=O)cc2C(=O)O)c(S(=O)(=O)O)c1
InChI Key	RARIURUOBGHTEW-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 1-sulfo,2-unsubstituted aromatic compounds 4-halobenzoic acids amino acids aminosulfonyl compounds aryl chlorides arylsulfonic acids and derivatives benzenesulfonic acids and derivatives benzenesulfonyl compounds benzoic acids benzoyl derivatives chlorobenzenes halobenzoic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organochlorides organooxygen compounds organopnictogen compounds organosulfonamides organosulfonic acids secondary amines vinylogous amides
Substituents	organosulfonic acid or derivatives carboxylic acid amino acid or derivatives amino acid organochloride organosulfonic acid benzoyl benzenesulfonate organosulfur compound carboxylic acid derivative organohalogen compound organosulfonic acid amide organic oxide organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid benzenesulfonyl group aryl chloride chlorobenzene vinylogous amide halobenzoic acid benzenesulfonamide 4-halobenzoic acid 1-sulfo,2-unsubstituted aromatic compound aminosulfonyl compound benzoic acid or derivatives halobenzoic acid or derivatives secondary amine aryl halide 4-halobenzoic acid or derivatives aromatic homomonocyclic compound monocarboxylic acid or derivatives sulfonyl organic oxygen compound arylsulfonic acid or derivatives organic sulfonic acid or derivatives hydrocarbon derivative organic nitrogen compound halobenzene organooxygen compound amine

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