DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:15:50 UTC
Update Date	2025-03-21 18:34:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00100100
Frequency	27.4
Structure
Chemical Formula	C₇H₆Cl₂N₂O₄S
Molecular Mass	283.9425
SMILES	Nc1c(C(=O)O)cc(S(N)(=O)=O)c(Cl)c1Cl
InChI Key	QRNOLANOZZXIMW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	dichlorobenzoic acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 3-halobenzoic acids 4-halobenzoic acids amino acids aminosulfonyl compounds aryl chlorides benzenesulfonamides benzenesulfonyl compounds benzoyl derivatives dichlorobenzenes halobenzoic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organochlorides organooxygen compounds organopnictogen compounds organosulfonamides primary amines vinylogous amides
Substituents	organosulfonic acid or derivatives carboxylic acid amino acid or derivatives amino acid 3-halobenzoic acid or derivatives organochloride benzoyl organosulfur compound carboxylic acid derivative organohalogen compound organosulfonic acid amide organic oxide 3-halobenzoic acid organonitrogen compound organopnictogen compound 1,2-dichlorobenzene 1-carboxy-2-haloaromatic compound benzenesulfonyl group aryl chloride chlorobenzene vinylogous amide halobenzoic acid benzenesulfonamide 4-halobenzoic acid aminosulfonyl compound halobenzoic acid or derivatives aryl halide 4-halobenzoic acid or derivatives aromatic homomonocyclic compound monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound halobenzene 3,4-dichlorobenzoic acid amine organooxygen compound

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