| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:05 UTC |
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| Update Date | 2025-03-25 00:57:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224619 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6BrNO3S |
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| Molecular Mass | 250.9252 |
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| SMILES | NS(=O)(=O)c1cc(Br)ccc1O |
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| InChI Key | MAAWQJRCQVMKJP-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 | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaminosulfonyl compoundsaryl bromidesbenzenesulfonyl compoundsbromobenzeneshalophenolshydrocarbon derivativesorganic nitrogen compoundsorganic oxidesorganobromidesorganooxygen compoundsorganosulfonamidesp-bromophenols |
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| Substituents | organosulfonic acid or derivatives1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxide4-halophenolbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compound4-bromophenolbromobenzenearyl halidearomatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganobromidephenolhydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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