| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:05 UTC |
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| Update Date | 2025-03-25 00:47:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160366 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO4S2 |
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| Molecular Mass | 261.013 |
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| SMILES | NS(=O)(=O)c1ccc(SCCC(=O)O)cc1 |
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| InChI Key | DKBKSOVTJHACOR-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 | alkylarylthioethersaminosulfonyl compoundsbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganosulfonamidessulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganosulfonic acid amideorganic oxidethiophenolthiophenol etherbenzenesulfonyl groupbenzenesulfonamidesulfenyl compoundaminosulfonyl compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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