| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:41 UTC |
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| Update Date | 2025-03-21 18:34:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099714 |
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| Frequency | 27.5 |
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| Structure | |
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| Chemical Formula | C10H13NO4S |
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| Molecular Mass | 243.0565 |
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| SMILES | NS(=O)(=O)OC(=O)CCCc1ccccc1 |
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| InChI Key | PYLOOUJNQKGSMH-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganic sulfuric acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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