| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:51 UTC |
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| Update Date | 2025-03-25 00:53:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198578 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O4S |
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| Molecular Mass | 192.0456 |
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| SMILES | CCCCOC(=O)SCC(=O)O |
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| InChI Key | WUVNEZQPTPLYON-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | thioacetals |
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| Subclass | monothioacetals |
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| Direct Parent | monothioacetals |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganic thiocarbonic acid derivativessulfenyl compoundsthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarbonic acid derivativecarboxylic acidsulfenyl compoundthiocarbonic acid derivativecarboxylic acid derivativemonothioacetalorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativethiolactoneorganooxygen compound |
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