| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:28 UTC |
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| Update Date | 2025-03-21 18:36:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111492 |
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| Frequency | 23.8 |
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| Structure | |
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| Chemical Formula | C13H13NO2S |
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| Molecular Mass | 247.0667 |
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| SMILES | NC(CSc1cccc2ccccc12)C(=O)O |
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| InChI Key | PHSKYWDCAXARHS-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 | cysteine and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alkylarylthioethersalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesnaphthalenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | carbonyl groupcarboxylic acidalkylarylthioetherorganosulfur compoundaryl thioetherorganic oxidethiophenolthiophenol etherorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundaromatic homopolycyclic compoundmonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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