| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:37 UTC |
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| Update Date | 2025-03-21 18:34:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102061 |
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| Frequency | 26.7 |
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| Structure | |
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| Chemical Formula | C10H13NO3S |
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| Molecular Mass | 227.0616 |
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| SMILES | NC(CCS(=O)c1ccccc1)C(=O)O |
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| InChI Key | XZSFAQPZIANUMQ-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 | carbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenyl sulfoxidessulfinyl compoundssulfoxidesthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidorganosulfur compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthia fatty acidphenyl sulfoxideorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxidealpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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