DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:04 UTC
Update Date	2025-03-25 00:45:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151272
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₂ClN₃O₅S
Molecular Mass	345.0186
SMILES	Cc1ncoc1CNc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O
InChI Key	RDVDOTBWYIQMOU-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 4,5-disubstituted oxazoles 4-halobenzoic acids amino acids aminosulfonyl compounds aryl chlorides azacyclic compounds benzenesulfonyl compounds benzoic acids benzoyl derivatives chlorobenzenes 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 organochloride oxazole benzoyl organonitrogen compound 1-carboxy-2-haloaromatic compound organoheterocyclic compound benzenesulfonyl group aryl chloride chlorobenzene vinylogous amide halobenzoic acid benzenesulfonamide 4-halobenzoic acid azacycle heteroaromatic compound secondary aliphatic/aromatic amine aryl halide 4-halobenzoic acid or derivatives hydrocarbon derivative halobenzene amine organosulfonic acid or derivatives aromatic heteromonocyclic compound amino acid organosulfur compound carboxylic acid derivative organohalogen compound organosulfonic acid amide organic oxide organopnictogen compound benzoic acid azole aminosulfonyl compound 4,5-disubstituted 1,3-oxazole benzoic acid or derivatives 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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