| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:35 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207137 |
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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 | O=C(O)C1CSC=CC1=O |
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| InChI Key | PDGCYDGDJMURCY-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 | thiopyrans |
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| Subclass | thiopyrans |
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| Direct Parent | thiopyrans |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundscarboxylic acidscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesthioenol ethersvinylogous thioesters |
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| Substituents | vinylogous thioestercarbonyl groupcarboxylic acidcyclic ketonethiopyrancarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
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