| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:16 UTC |
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| Update Date | 2025-03-21 18:32:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091441 |
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| Frequency | 30.7 |
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| Structure | |
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| Chemical Formula | C6H8O2S |
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| Molecular Mass | 144.0245 |
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| SMILES | CC1=C(C(=O)O)CCS1 |
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| InChI Key | UBKKIJVHCRFXPZ-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 | carbonyl compoundscarboxylic acidsdihydrothiopheneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesthioenol ethers |
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| Substituents | vinylogous thioestercarbonyl groupcarboxylic acid2,3-dihydrothiophenecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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