| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:54 UTC |
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| Update Date | 2025-03-21 18:06:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064295 |
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| Frequency | 47.9 |
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| Structure | |
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| Chemical Formula | C11H16O3S |
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| Molecular Mass | 228.082 |
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| SMILES | CSC=C(CC1(O)C=CCCC1)C(=O)O |
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| InChI Key | TWKICHJTZXDYOR-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 homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compoundstertiary alcoholsthioenol ethers |
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| Substituents | alcoholvinylogous thioestercarbonyl groupcarboxylic acidsulfenyl compoundorganosulfur compoundcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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