| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:29 UTC |
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| Update Date | 2025-03-21 18:40:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128203 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C8H9NO4S |
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| Molecular Mass | 215.0252 |
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| SMILES | NS(=O)(=O)Cc1ccc(C(=O)O)cc1 |
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| InChI Key | RSQIWTKFJBNPJE-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganic sulfonamidesorganooxygen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarboxylic acidaminosulfonyl compoundbenzoylorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundbenzoic acidorganic sulfonic acid amideorganooxygen compound |
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