DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:04 UTC
Update Date	2025-03-25 00:57:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224613
Frequency	0.5
Structure
Chemical Formula	C₁₈H₁₆Cl₃NO₁₀S
Molecular Mass	542.956
SMILES	NS(=O)(=O)c1cc(Cl)c(Oc2ccc(Cl)cc2OC2OC(C(=O)O)C(O)C(O)C2O)c(Cl)c1
InChI Key	KYNBIGAZHGXBIL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	o-glucuronides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals aminosulfonyl compounds aryl chlorides benzenesulfonamides benzenesulfonyl compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids diarylethers dichlorobenzenes diphenylethers glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic nitrogen compounds organic oxides organochlorides organosulfonamides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carboxylic acid organochloride o-glucuronide monosaccharide pyran carboxylic acid 1,3-dichlorobenzene 1-o-glucuronide beta-hydroxy acid acetal oxane organoheterocyclic compound benzenesulfonyl group aryl chloride chlorobenzene alcohol benzenesulfonamide aryl halide hydrocarbon derivative halobenzene phenoxy compound diaryl ether organosulfonic acid or derivatives carbonyl group ether aromatic heteromonocyclic compound organosulfur compound carboxylic acid derivative organohalogen compound organosulfonic acid amide organic oxide pyran carboxylic acid or derivatives aminosulfonyl compound hydroxy acid oxacycle monocarboxylic acid or derivatives sulfonyl organic sulfonic acid or derivatives pyran secondary alcohol benzenoid organic nitrogen compound diphenylether

Showing information for DMID02224613