| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:05 UTC |
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| Update Date | 2025-03-25 00:49:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176418 |
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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=CC1=C(C(=O)O)SCC1 |
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| InChI Key | AFHGRSNSBBLALU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | vinylogous thioesters |
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| Subclass | vinylogous thioesters |
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| Direct Parent | vinylogous thioesters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aldehydescarboxylic acidsdihydrothiopheneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesthioenol ethers |
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| Substituents | vinylogous thioestercarbonyl groupcarboxylic acid2,3-dihydrothiophenealdehydecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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