| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:22 UTC |
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| Update Date | 2025-03-21 18:42:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00137193 |
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| Frequency | 18.2 |
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| Structure | |
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| Chemical Formula | C7H10O11S |
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| Molecular Mass | 301.9944 |
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| SMILES | O=C(O)C1OC(O)(C(=O)O)CC(O)C1OS(=O)(=O)O |
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| InChI Key | KGAQKSGAJBMQKL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl sulfatesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcoholssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativeorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundhemiacetaloxanealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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