| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:34 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207101 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14BrNO4S |
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| Molecular Mass | 346.9827 |
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| SMILES | O=C(O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 |
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| InChI Key | VMVQMTHMVVRANM-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 heteromonocyclic compounds |
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| Alternative Parents | aryl bromidesazacyclic compoundsbenzenesulfonyl compoundsbromobenzenescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespiperidinecarboxylic acidspiperidinessulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidineorganoheterocyclic compoundbenzenesulfonyl groupbenzenesulfonamideazacyclebromobenzenearyl halidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganobromidehydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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