| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:07 UTC |
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| Update Date | 2025-03-25 00:46:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153792 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16O2S |
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| Molecular Mass | 188.0871 |
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| SMILES | CSC(=O)C=CCCCC(C)O |
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| InChI Key | PCJRGUQFOUZOCY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acyl thioesters |
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| Direct Parent | fatty acyl thioesters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarbothioic s-esterscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcoholssulfenyl compoundsthioestersthiolactones |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupthiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxideorganic oxygen compoundsecondary alcoholhydrocarbon derivativefatty acyl thioesterthiolactoneorganooxygen compound |
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