| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:34 UTC |
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| Update Date | 2025-03-21 18:01:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032704 |
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| Frequency | 111.4 |
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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 | O=C(O)c1ccc(S(=O)(=O)N2CCCC2)cc1 |
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| InChI Key | LTIXOYIZMIXNIK-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidespyrrolidinessulfonyls |
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| Substituents | organosulfonic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundbenzoylorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidpyrrolidineorganoheterocyclic compoundbenzenesulfonyl groupbenzenesulfonamideazacyclebenzoic acid or derivativesmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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