| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:46 UTC |
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| Update Date | 2025-03-25 00:50:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180281 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO5S |
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| Molecular Mass | 231.0201 |
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| SMILES | Cc1cc(C(=O)O)ccc1OS(N)(=O)=O |
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| InChI Key | FKCZFHUTAYHJOY-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 | benzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganic sulfuric acids and derivativesorganooxygen compoundsphenoxy compoundstoluenes |
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| Substituents | carboxylic acidorganic sulfuric acid or derivativesbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundbenzoic acidphenoxy compoundtolueneorganooxygen compound |
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