| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:53 UTC |
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| Update Date | 2025-03-25 01:00:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242146 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO3S |
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| Molecular Mass | 257.1086 |
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| SMILES | CC(C)c1ccc(S(=O)(=O)N(C)CCO)cc1 |
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| InChI Key | XYIZPHKMEJMIHQ-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 | alcohols and polyolsalkanolaminesaminosulfonyl compoundsbenzenesulfonyl compoundscumeneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenylpropanes |
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| Substituents | alcoholorganosulfonic acid or derivativesbenzenesulfonamideaminosulfonyl compoundorganosulfur compoundorganosulfonic acid amidephenylpropanearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundcumenehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundalkanolaminebenzenesulfonyl group |
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