DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:04 UTC
Update Date	2025-03-25 00:58:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233415
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₈ClN₇O₆S
Molecular Mass	483.0728
SMILES	Nc1ncnc2c1ncn2C1OC(CNc2cc(Cl)c(S(N)(=O)=O)cc2C(=O)O)CC1O
InChI Key	QJBHZWXSYKGPMP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzenesulfonamides
Direct Parent	benzenesulfonamides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 4-halobenzoic acids amino acids aminosulfonyl compounds aryl chlorides azacyclic compounds benzenesulfonyl compounds benzoic acids benzoyl derivatives chlorobenzenes halobenzoic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives n-substituted imidazoles organic oxides organochlorides organopnictogen compounds organosulfonamides oxacyclic compounds phenylalkylamines primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans vinylogous amides
Substituents	carboxylic acid amino acid or derivatives organochloride benzoyl imidazopyrimidine organonitrogen compound 1-carboxy-2-haloaromatic compound organoheterocyclic compound benzenesulfonyl group aryl chloride chlorobenzene alcohol vinylogous amide halobenzoic acid benzenesulfonamide 4-halobenzoic acid azacycle heteroaromatic compound secondary aliphatic/aromatic amine aryl halide 4-halobenzoic acid or derivatives hydrocarbon derivative primary amine halobenzene amine organosulfonic acid or derivatives amino acid organosulfur compound carboxylic acid derivative organohalogen compound pyrimidine organosulfonic acid amide organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound benzoic acid imidolactam azole n-substituted imidazole aminosulfonyl compound tetrahydrofuran benzoic acid or derivatives halobenzoic acid or derivatives secondary amine oxacycle monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives secondary alcohol phenylalkylamine purine organic nitrogen compound organooxygen compound

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