| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:19 UTC |
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| Update Date | 2025-03-25 01:00:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245541 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12BrNO4S |
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| Molecular Mass | 320.967 |
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| SMILES | CCN(CC(=O)O)S(=O)(=O)c1ccc(Br)cc1 |
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| InChI Key | SLMGULQANNNRET-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 | alpha amino acidsaminosulfonyl compoundsaryl bromidesbenzenesulfonyl compoundsbromobenzenescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundbromobenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganobromidehydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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