| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:40 UTC |
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| Update Date | 2025-03-21 18:37:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114389 |
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| Frequency | 23.1 |
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| Structure | |
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| Chemical Formula | C7H7NO5S |
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| Molecular Mass | 217.0045 |
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| SMILES | Nc1cccc(C(=O)OS(=O)(=O)O)c1 |
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| InChI Key | OATDOKPHUZYCHE-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 and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acids and derivativesbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesamino acid or derivativesbenzoylbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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