| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:57 UTC |
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| Update Date | 2025-03-21 18:32:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090656 |
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| Frequency | 31.0 |
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| Structure | |
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| Chemical Formula | C16H15NO4S |
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| Molecular Mass | 317.0722 |
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| SMILES | O=C(O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 |
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| InChI Key | QLWLSZNKQJSZJE-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 compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidessulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundbenzoic acidbenzenesulfonyl groupbenzenesulfonamideazacyclebenzoic acid or derivativesmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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