| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:57:52 UTC |
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| Update Date | 2025-03-21 18:05:27 UTC |
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| HMDB ID | HMDB0243657 |
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| Metabolite Identification |
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| DeepMet ID | DMID00057079 |
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| Name | (Phenylthio)acetic acid |
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| Frequency | 55.6 |
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| Structure | |
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| Chemical Formula | C8H8O2S |
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| Molecular Mass | 168.0245 |
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| SMILES | O=C(O)CSc1ccccc1 |
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| InChI Key | MOTOSAGBNXXRRE-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 | thiophenols |
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| Subclass | thiophenols |
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| Direct Parent | thiophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylarylthioethersbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compoundsthiophenol ethers |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidsulfenyl compoundalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetheraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthiophenolorganic oxygen compoundthioetherthiophenol etherhydrocarbon derivativeorganooxygen compound |
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