| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:54 UTC |
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| Update Date | 2025-03-21 18:40:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129217 |
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| Frequency | 19.7 |
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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 | COc1ccc(S(=O)(=O)N(CC(=O)O)CC(C)C)cc1 |
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| InChI Key | YFPYRDHNGRAGAD-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 | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsaminosulfonyl compoundsanisolesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenoxy compounds |
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| Substituents | phenol etherorganosulfonic acid or derivativescarbonyl groupethercarboxylic acidalpha-amino acid or derivativesalkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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