| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:56 UTC |
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| Update Date | 2025-03-21 18:04:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052621 |
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| Frequency | 61.8 |
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| Structure | |
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| Chemical Formula | C9H14O4S |
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| Molecular Mass | 218.0613 |
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| SMILES | CSC1CC(O)C=CC1(O)CC(=O)O |
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| InChI Key | ZAGAVKPWZYYZDK-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 acids and conjugates |
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| Direct Parent | thia fatty acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfenyl compoundstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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