| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:10 UTC |
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| Update Date | 2025-03-25 00:56:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220273 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO4S |
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| Molecular Mass | 255.0565 |
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| SMILES | CS(=O)(=O)N1Cc2ccccc2C(C(=O)O)C1 |
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| InChI Key | OKRCNSYJNQRNKG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | tetrahydroisoquinolines |
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| Subclass | tetrahydroisoquinolines |
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| Direct Parent | tetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidessulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidazacycleorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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