| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:23 UTC |
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| Update Date | 2025-03-21 18:05:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055962 |
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| Frequency | 57.0 |
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| Structure | |
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| Chemical Formula | C10H13NO2S |
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| Molecular Mass | 211.0667 |
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| SMILES | NC(CCSc1ccccc1)C(=O)O |
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| InChI Key | CXRJWCGBHXIRIE-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 | alkylarylthioethersbenzene and substituted derivativescarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acidsthiophenol ethersthiophenols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalkylarylthioetherorganosulfur compoundaryl thioetherorganic oxidethiophenolthiophenol etherorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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