| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:02 UTC |
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| Update Date | 2025-03-25 00:45:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148864 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18NO4S+ |
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| Molecular Mass | 260.0951 |
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| SMILES | C[N+](C)(C)C(Cc1ccc(O)cc1)S(=O)(=O)O |
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| InChI Key | NYDWGOZXEGCFLY-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativeshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidssulfonylstetraalkylammonium salts |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietytetraalkylammonium saltorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltorganooxygen compound |
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