| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:21 UTC |
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| Update Date | 2025-03-25 00:45:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149603 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO2S |
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| Molecular Mass | 241.1136 |
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| SMILES | CCN(C(C)C)S(=O)(=O)c1ccc(C)cc1 |
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| InChI Key | IMPHGFHTUIBOEK-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 | toluenes |
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| Direct Parent | n,n-disubstituted p-toluenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | n,n-disubstituted p-toluenesulfonamideorganosulfonic acid or derivativesbenzenesulfonamideaminosulfonyl compoundorganosulfur compoundorganosulfonic acid amidearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundbenzenesulfonyl group |
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