| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:41 UTC |
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| Update Date | 2025-03-21 18:32:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092439 |
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| Frequency | 30.3 |
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| Structure | |
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| Chemical Formula | C12H13NO3S |
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| Molecular Mass | 251.0616 |
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| SMILES | O=C(C=Cc1ccccc1)NC(CS)C(=O)O |
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| InChI Key | FSHHAKFTSFMVEA-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidscinnamic acids and derivativescysteine and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganosulfur compoundcinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundalkylthiolorganooxygen compound |
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