| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:02 UTC |
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| Update Date | 2025-03-21 17:57:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010911 |
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| Frequency | 427.8 |
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| Structure | |
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| Chemical Formula | C10H14O6S |
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| Molecular Mass | 262.0511 |
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| SMILES | O=C(O)CSC1CC(O)C=CC1(O)CC(=O)O |
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| InChI Key | FLHZLRFTLRZSMF-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 acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidessecondary alcoholssulfenyl compoundstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxylic acid derivativetertiary alcoholorganic oxidethia fatty acidorganic oxygen compoundthioethersecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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