| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:54 UTC |
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| Update Date | 2025-03-21 18:35:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107662 |
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| Frequency | 25.0 |
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| Structure | |
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| Chemical Formula | C9H12O6S |
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| Molecular Mass | 248.0355 |
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| SMILES | O=C(O)CC1(O)C=CC(O)CC1SC(=O)O |
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| InChI Key | VYSWYBDJLFTEBM-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 acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganic thiocarbonic acid derivativessecondary alcoholssulfenyl compoundstertiary alcoholsthiolactones |
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| Substituents | alcoholcarbonyl groupcarbonic acid derivativecarboxylic acidsulfenyl compoundthiocarbonic acid derivativeorganosulfur compoundcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativehydroxy fatty acidthiolactoneorganooxygen compound |
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