| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:27 UTC |
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| Update Date | 2025-03-21 18:40:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128147 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C12H15NO4S |
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| Molecular Mass | 269.0722 |
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| SMILES | Cc1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1 |
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| InChI Key | CGPHGPCHVUSFFA-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 | alpha amino acidsazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesproline and derivativespyrrolidine carboxylic acidssulfonyls |
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| Substituents | n,n-disubstituted p-toluenesulfonamideorganosulfonic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundbenzenesulfonyl groupproline or derivativesbenzenesulfonamideazacyclemonocarboxylic acid or derivativessulfonylpyrrolidine carboxylic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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