| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:10 UTC |
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| Update Date | 2025-03-25 01:00:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242785 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6O3S |
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| Molecular Mass | 158.0038 |
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| SMILES | CC(=O)C1CC(=O)C(=O)S1 |
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| InChI Key | BMKCYBQGEBXYFT-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 | thiolanes |
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| Subclass | thiolanes |
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| Direct Parent | thiolanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbothioic s-lactonescarboxylic acids and derivativescyclic ketoneshydrocarbon derivativesorganic oxidesthioestersthiolactones |
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| Substituents | thiolanecarbothioic s-lactonethiocarboxylic acid or derivativescarbonyl groupthiocarboxylic acid estercyclic ketonecarboxylic acid derivativeketoneorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativethiolactoneorganooxygen compound |
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