| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:13 UTC |
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| Update Date | 2025-03-25 00:53:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201747 |
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| Frequency | 0.5 |
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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 | Cc1ccc(C(C)C(=O)O)cc1S(N)(=O)=O |
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| InChI Key | GRPGRMXRZJAVSU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsaromatic monoterpenoidsbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic nitrogen compoundsorganic oxidesorganosulfonamidestoluenes |
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| Substituents | monoterpenoidorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidp-cymeneorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxide2-phenylpropanoic-acidbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compoundaromatic monoterpenoid |
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