| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:16 UTC |
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| Update Date | 2025-03-25 00:48:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169919 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO6S |
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| Molecular Mass | 315.0777 |
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| SMILES | CCOC(=O)CN(CC(=O)O)S(=O)(=O)c1ccc(C)cc1 |
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| InChI Key | DMZSKQCBHUKQDJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn,n-disubstituted p-toluenesulfonamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | n,n-disubstituted p-toluenesulfonamideorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidtosyl compoundorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl groupbenzenesulfonamidealpha-amino acid esteraminosulfonyl compoundp-toluenesulfonamidearomatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativescarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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