| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:01 UTC |
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| Update Date | 2025-03-21 18:05:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057449 |
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| Frequency | 55.2 |
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| Structure | |
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| Chemical Formula | C11H17NO2S |
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| Molecular Mass | 227.098 |
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| SMILES | CCN(CC)S(=O)(=O)c1ccc(C)cc1 |
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| InChI Key | AOJBACHWNDMRQP-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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