| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:01 UTC |
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| Update Date | 2025-03-25 00:51:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187681 |
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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 | CC(C)C(=O)S(=O)C(C)C(=O)O |
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| InChI Key | CHHSHEXTUHPJAP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | thiolactones |
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| Subclass | thiolactones |
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| Direct Parent | thiolactones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfinyl compoundssulfoxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundsulfoxidehydrocarbon derivativethiolactoneorganooxygen compound |
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