| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:58 UTC |
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| Update Date | 2025-03-21 18:37:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115103 |
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| Frequency | 22.9 |
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| Structure | |
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| Chemical Formula | C8H7NO4S |
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| Molecular Mass | 213.0096 |
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| SMILES | O=C(O)C1NS(=O)(=O)c2ccccc21 |
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| InChI Key | FNAUTOHWFWRAJM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsbenzothiazolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidazacycle1,2-benzothiazoleorganosulfonic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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