DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:17:15 UTC
Update Date	2025-03-21 18:35:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00103626
Frequency	26.2
Structure
Chemical Formula	C₁₂H₁₀Cl₂N₂O₅S
Molecular Mass	363.9687
SMILES	NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)c(Cl)c1Cl
InChI Key	YHBQURCRNFDIDM-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 heteromonocyclic 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 furans halobenzoic acids heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organochlorides organooxygen compounds organopnictogen compounds organosulfonamides oxacyclic compounds phenylalkylamines secondary alkylarylamines vinylogous amides
Substituents	carboxylic acid amino acid or derivatives 3-halobenzoic acid or derivatives organochloride benzoyl 3-halobenzoic acid organonitrogen compound 1-carboxy-2-haloaromatic compound organoheterocyclic compound benzenesulfonyl group aryl chloride chlorobenzene vinylogous amide halobenzoic acid benzenesulfonamide 4-halobenzoic acid heteroaromatic compound secondary aliphatic/aromatic amine aryl halide 4-halobenzoic acid or derivatives hydrocarbon derivative halobenzene 3,4-dichlorobenzoic acid amine furan organosulfonic acid or derivatives aromatic heteromonocyclic compound amino acid organosulfur compound carboxylic acid derivative organohalogen compound organosulfonic acid amide organic oxide organopnictogen compound 1,2-dichlorobenzene aminosulfonyl compound halobenzoic acid or derivatives secondary amine oxacycle monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives phenylalkylamine organic nitrogen compound organooxygen compound

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