| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:10 UTC |
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| Update Date | 2025-03-21 18:37:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115580 |
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| Frequency | 22.8 |
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| Structure | |
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| Chemical Formula | C7H10O7S |
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| Molecular Mass | 238.0147 |
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| SMILES | O=C(O)C1(O)C=CC(O)CC1S(=O)(=O)O |
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| InChI Key | DPUYQIZGLCJZHE-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 | hydroxy acids and derivatives |
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| Subclass | alpha hydroxy acids and derivatives |
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| Direct Parent | alpha hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acidssecondary alcoholssulfonylstertiary alcohols |
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| Substituents | alcoholorganosulfonic acid or derivativescarbonyl groupcarboxylic acidalpha-hydroxy acidorganosulfonic acidorganosulfur compoundcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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