| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:20 UTC |
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| Update Date | 2025-03-25 00:52:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195109 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22ClNO3S |
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| Molecular Mass | 367.1009 |
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| SMILES | CCCN(CCC)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 |
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| InChI Key | HJALMBQEJBQYGF-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 | aminosulfonyl compoundsaryl chloridesbenzenesulfonamidesbenzenesulfonyl compoundschlorobenzenesdiarylethershydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol etherorganosulfonic acid or derivativesetherorganochlorideorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl grouparyl chloridechlorobenzenebenzenesulfonamideaminosulfonyl compoundaryl halidearomatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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