DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:31:16 UTC
Update Date	2025-03-21 18:41:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00136931
Frequency	18.3
Structure
Chemical Formula	C₁₂H₁₁FN₂O₅S
Molecular Mass	314.0373
SMILES	NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1F
InChI Key	JXSWYGRVRDQXSN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzenesulfonamides
Direct Parent	benzenesulfonamides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 4-halobenzoic acids amino acids aminosulfonyl compounds aryl fluorides benzenesulfonyl compounds benzoic acids benzoyl derivatives fluorobenzenes furans halobenzoic acids heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organofluorides organooxygen compounds organopnictogen compounds organosulfonamides oxacyclic compounds phenylalkylamines secondary alkylarylamines vinylogous amides
Substituents	aryl fluoride furan organosulfonic acid or derivatives carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid benzoyl organosulfur compound carboxylic acid derivative organohalogen compound organosulfonic acid amide fluorobenzene organic oxide organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid organoheterocyclic compound benzenesulfonyl group vinylogous amide halobenzoic acid benzenesulfonamide 4-halobenzoic acid aminosulfonyl compound organofluoride heteroaromatic compound benzoic acid or derivatives halobenzoic acid or derivatives secondary amine secondary aliphatic/aromatic amine aryl halide 4-halobenzoic acid or derivatives oxacycle monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives phenylalkylamine hydrocarbon derivative organic nitrogen compound halobenzene amine organooxygen compound

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