| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:29 UTC |
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| Update Date | 2025-03-21 18:32:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089520 |
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| Frequency | 31.5 |
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| Structure | |
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| Chemical Formula | C6H8O4S |
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| Molecular Mass | 176.0143 |
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| SMILES | O=C(O)C1=CC(O)C(O)CS1 |
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| InChI Key | HDIWXFMPGRBKCG-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 | 1,2-diolscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsthioenol ethers |
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| Substituents | alcoholcarbonyl groupcarboxylic acidthiopyrancarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound1,2-diol |
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