| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:45 UTC |
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| Update Date | 2025-03-25 00:57:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226048 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO3S |
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| Molecular Mass | 241.0773 |
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| SMILES | CC(=O)NS(=O)(=O)c1ccc(C(C)C)cc1 |
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| InChI Key | GXRBCVGGSSLISH-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 | acetamidesaminosulfonyl compoundsbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativescumeneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acids and derivativesphenylpropanes |
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| Substituents | organosulfonic acid or derivativescarbonyl groupbenzenesulfonamideaminosulfonyl compoundorganosulfur compoundcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundcumenehydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compoundbenzenesulfonyl group |
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