| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:57 UTC |
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| Update Date | 2025-03-25 00:57:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224334 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6O4S |
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| Molecular Mass | 173.9987 |
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| SMILES | O=C(O)C1=C=CCS(=O)(=O)C1 |
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| InChI Key | JUUBJXBMWPEHGU-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 | sulfonyls |
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| Subclass | sulfones |
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| Direct Parent | sulfones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganoheterocyclic compounds |
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| Substituents | carbonyl grouporganic oxidemonocarboxylic acid or derivativescarboxylic acidorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativecarboxylic acid derivativeorganoheterocyclic compoundorganooxygen compoundsulfone |
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