| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:58 UTC |
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| Update Date | 2025-03-21 18:02:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038487 |
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| Frequency | 90.9 |
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| Structure | |
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| Chemical Formula | C8H12O7S |
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| Molecular Mass | 252.0304 |
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| SMILES | O=C(O)CC1(O)C=CC(O)CC1S(=O)(=O)O |
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| InChI Key | OPVBMMMRZYEVPV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfonic acids and derivatives |
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| Subclass | organosulfonic acids and derivatives |
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| Direct Parent | organosulfonic acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfonylstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidorganosulfonic acidorganosulfur compoundcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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