| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:18 UTC |
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| Update Date | 2025-03-25 00:59:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238514 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O8S2 |
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| Molecular Mass | 287.9974 |
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| SMILES | O=C(O)C1(O)CC(O)C(O)C(SS(=O)(=O)O)C1 |
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| InChI Key | MAAIDGLFJYBZBT-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 | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidess-alkyl thiosulfatessulfenyl compoundstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidsulfenyl compoundalpha-hydroxy acidcyclohexanolhydroxy acidorganosulfur compoundcarboxylic acid derivatives-alkyl thiosulfatetertiary alcoholorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativequinic acid |
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