| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:27 UTC |
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| Update Date | 2025-03-25 00:57:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225402 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9BrN2O3S |
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| Molecular Mass | 291.9517 |
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| SMILES | CC(=O)Nc1ccc(S(N)(=O)=O)cc1Br |
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| InChI Key | KEWVRXYADHXOPL-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 | anilides |
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| Direct Parent | o-haloacetanilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesaminosulfonyl compoundsaryl bromidesbenzenesulfonamidesbenzenesulfonyl compoundsbromobenzenescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acetylarylaminesorganic oxidesorganobromidesorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupn-acetylarylamineo-haloacetaniliden-arylamideorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidebenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundbromobenzenecarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganobromidehydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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