| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:37 UTC |
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| Update Date | 2025-03-21 18:31:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087515 |
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| Frequency | 32.5 |
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| Structure | |
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| Chemical Formula | C7H13NO8S |
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| Molecular Mass | 271.0362 |
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| SMILES | O=C(O)C1(O)CC(O)C(NS(=O)(=O)O)C(O)C1 |
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| InChI Key | SSYXEOYHSQKRFV-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 acidscyclamatescyclohexanolsdelta amino acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfuric acid monoamidestertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativesorganic sulfuric acid or derivativescyclohexanolcyclamic_acid_derivativehydroxy acidtertiary alcoholmonocarboxylic acid or derivativessulfuric acid monoamidesecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganic nitrogen compoundquinic acid |
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