| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:27 UTC |
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| Update Date | 2025-03-21 18:34:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099165 |
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| Frequency | 27.7 |
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| Structure | |
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| Chemical Formula | C10H11NO3S |
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| Molecular Mass | 225.046 |
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| SMILES | O=C(NC(CS)C(=O)O)c1ccccc1 |
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| InChI Key | LJWSDBHOEIBWJY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | hippuric acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidscysteine and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidbenzoylalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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