| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:34 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207075 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O8S |
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| Molecular Mass | 254.0096 |
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| SMILES | O=C(O)C1=CC(O)CC(OS(=O)(=O)O)C1O |
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| InChI Key | WOGDTCZZQZVIDG-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 | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfatescarbonyl compoundscarboxylic acidscyclitols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativescyclitol or derivativescarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl sulfatesecondary alcoholaliphatic homomonocyclic compoundsulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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