DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:40 UTC
Update Date	2025-03-25 00:59:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02234824
Frequency	0.5
Structure
Chemical Formula	C₁₂H₇Cl₃O₄S
Molecular Mass	351.9131
SMILES	O=S(=O)(O)c1cc(Cl)cc(Cl)c1Oc1ccc(Cl)cc1
InChI Key	GMDJCOVZFUJWCW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	diphenylethers
Direct Parent	diphenylethers
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-sulfo,2-unsubstituted aromatic compounds aryl chlorides arylsulfonic acids and derivatives benzenesulfonic acids and derivatives benzenesulfonyl compounds diarylethers dichlorobenzenes hydrocarbon derivatives organic oxides organochlorides organosulfonic acids phenol ethers phenoxy compounds sulfonyls
Substituents	diaryl ether phenol ether organosulfonic acid or derivatives ether organochloride organosulfonic acid benzenesulfonate organosulfur compound organohalogen compound 1,3-dichlorobenzene organic oxide benzenesulfonyl group aryl chloride chlorobenzene 1-sulfo,2-unsubstituted aromatic compound aryl halide aromatic homomonocyclic compound sulfonyl arylsulfonic acid or derivatives organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative halobenzene phenoxy compound diphenylether organooxygen compound

Showing information for DMID02234824