| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:08 UTC |
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| Update Date | 2025-03-25 01:01:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249703 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12ClNO4S |
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| Molecular Mass | 277.0176 |
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| SMILES | Cc1ccc(S(=O)(=O)N(C)CC(=O)O)c(Cl)c1 |
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| InChI Key | ICWDVTPDIVXYAK-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminosulfonyl compoundsaryl chloridesbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidestoluenes |
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| Substituents | n,n-disubstituted p-toluenesulfonamideorganosulfonic acid or derivativescarbonyl groupcarboxylic acidorganochloridealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl grouparyl chloridechlorobenzenebenzenesulfonamideaminosulfonyl compoundaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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