| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:08 UTC |
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| Update Date | 2025-03-25 01:01:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249689 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O2S |
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| Molecular Mass | 238.1028 |
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| SMILES | Cc1ccc(SCC(=O)OCC(C)C)cc1 |
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| InChI Key | PLXMLZFXRFIRHP-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 acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compoundsthiophenol etherstoluenes |
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| Substituents | monocyclic benzene moietycarbonyl groupsulfenyl compoundalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetheraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthiophenolorganic oxygen compoundthioetherthiophenol ethercarboxylic acid esterhydrocarbon derivativetolueneorganooxygen compound |
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