| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:02 UTC |
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| Update Date | 2025-03-25 00:59:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237924 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9Cl2NO5S |
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| Molecular Mass | 324.9578 |
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| SMILES | O=C(O)CCC(=O)NS(=O)(=O)c1ccc(Cl)cc1Cl |
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| InChI Key | XKKLKBAGLMAIOO-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 | aminosulfonyl compoundsaryl chloridesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidsdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acids and derivatives |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidorganochlorideorganosulfur compoundcarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl grouparyl chloridechlorobenzenebenzenesulfonamideaminosulfonyl compoundaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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