| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:23 UTC |
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| Update Date | 2025-03-25 01:00:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245700 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO5S |
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| Molecular Mass | 301.0984 |
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| SMILES | CCCN(CC(O)C(=O)O)S(=O)(=O)c1ccc(C)cc1 |
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| InChI Key | MTWZLPYLMSAEQR-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 hydroxy acids and derivativesaminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidessecondary alcohols |
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| Substituents | n,n-disubstituted p-toluenesulfonamideorganosulfonic acid or derivativescarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharideorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amidesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compoundhydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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