| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:02 UTC |
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| Update Date | 2025-03-25 00:53:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201346 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10Cl3NO4S |
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| Molecular Mass | 380.9396 |
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| SMILES | COc1cc(Cl)ccc1Oc1cc(Cl)c(S(N)(=O)=O)cc1Cl |
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| InChI Key | ILMVNVJBQOZZRE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminosulfonyl compoundsanisolesaryl chloridesbenzenesulfonamidesbenzenesulfonyl compoundsdiarylethersdichlorobenzeneshydrocarbon derivativesmethoxybenzenesorganic nitrogen compoundsorganic oxidesorganochloridesorganosulfonamidesphenoxy compounds |
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| Substituents | diaryl etherphenol etherorganosulfonic acid or derivativesetherorganochloridealkyl aryl etherorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxidebenzenesulfonyl grouparyl chloridechlorobenzenebenzenesulfonamide1,4-dichlorobenzeneaminosulfonyl compoundmethoxybenzenearyl halidearomatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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