| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:01 UTC |
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| Update Date | 2025-03-21 18:05:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055077 |
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| Frequency | 58.2 |
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| Structure | |
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| Chemical Formula | C9H10O2S |
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| Molecular Mass | 182.0402 |
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| SMILES | Cc1ccc(SCC(=O)O)cc1 |
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| InChI Key | XCRDQVBOVYWDPH-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 | alkylarylthioetherscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compoundsthiophenol etherstoluenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidsulfenyl compoundalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetheraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthiophenolorganic oxygen compoundthioetherthiophenol etherhydrocarbon derivativetolueneorganooxygen compound |
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