| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:50 UTC |
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| Update Date | 2025-03-25 00:47:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162042 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O6S |
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| Molecular Mass | 222.0198 |
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| SMILES | O=C(O)C1CC=CC(O)C1S(=O)(=O)O |
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| InChI Key | ZLVLLIODIWCXAN-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 alcoholssulfonyls |
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| Substituents | alcoholcarbonyl groupcarboxylic acidorganosulfonic acidorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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