| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:14 UTC |
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| Update Date | 2025-03-25 00:45:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149337 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO6S |
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| Molecular Mass | 275.0464 |
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| SMILES | Nc1ccccc1C(CCC(=O)O)OS(=O)(=O)O |
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| InChI Key | CJBXXPOXEZJLRC-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 | alkyl sulfatesamino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesamino acid or derivativesamino acidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeprimary amineorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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