| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:25 UTC |
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| Update Date | 2025-03-21 18:39:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128063 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C13H17NO4S |
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| Molecular Mass | 283.0878 |
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| SMILES | Cc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 |
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| InChI Key | YJRQMKSUAIKDDF-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 | toluenes |
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| Direct Parent | n,n-disubstituted p-toluenesulfonamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespiperidinecarboxylic acidspiperidinessulfonyls |
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| Substituents | n,n-disubstituted p-toluenesulfonamideorganosulfonic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidineorganoheterocyclic compoundbenzenesulfonyl groupbenzenesulfonamideazacyclemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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