| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:13 UTC |
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| Update Date | 2025-03-25 00:57:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227101 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O2S |
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| Molecular Mass | 224.0871 |
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| SMILES | CC(C)c1ccccc1SCCC(=O)O |
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| InChI Key | GCKZLQFTSCOGMW-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 | benzene and substituted derivatives |
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| Subclass | cumenes |
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| Direct Parent | cumenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylarylthioetherscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanessulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | carbonyl groupcarboxylic acidsulfenyl compoundalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherphenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthiophenolorganic oxygen compoundthioetherthiophenol ethercumenehydrocarbon derivativeorganooxygen compound |
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