| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:59 UTC |
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| Update Date | 2025-03-21 18:06:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062199 |
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| Frequency | 49.9 |
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| Structure | |
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| Chemical Formula | C13H17NO3S |
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| Molecular Mass | 267.0929 |
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| SMILES | CSCCC(NC(=O)c1ccccc1C)C(=O)O |
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| InChI Key | FHRIVDXDDZJHQI-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 | methionine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acidso-toluamides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylorganosulfur compoundtoluamidebenzamideorganic oxideo-toluamideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundn-acyl-alpha-amino aciddialkylthioetherhippuric acid or derivativesbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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