| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:10 UTC |
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| Update Date | 2025-03-21 18:41:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136700 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C6H12O3S |
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| Molecular Mass | 164.0507 |
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| SMILES | CS(=O)CC(C)(C)C(=O)O |
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| InChI Key | GAKXYOBUXJGIOA-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 | sulfoxides |
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| Subclass | sulfoxides |
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| Direct Parent | sulfoxides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfinyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundsulfoxidehydrocarbon derivativeorganooxygen compound |
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