| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:48 UTC |
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| Update Date | 2025-03-25 00:55:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210047 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O5S |
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| Molecular Mass | 208.0405 |
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| SMILES | CC(O)C(O)C(=O)CSCC(=O)O |
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| InChI Key | RRPMLIJKJRPDHP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | monosaccharides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsacyloinsalpha-hydroxy ketonesbeta-hydroxy ketonescarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfenyl compounds |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioethermonosaccharideorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesthioetheracyloinsecondary alcoholhydrocarbon derivative1,2-diol |
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