| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:34 UTC |
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| Update Date | 2025-03-21 18:39:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126024 |
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| Frequency | 20.3 |
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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 | NC(CCS(=O)(=O)c1ccccc1)C(=O)O |
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| InChI Key | LZTXIIADCCCWKX-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 homomonocyclic compounds |
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| Alternative Parents | benzenesulfonyl compoundscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfonesthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidorganosulfur compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthia fatty acidsulfonylorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundsulfonebenzenesulfonyl group |
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