| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:24 UTC |
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| Update Date | 2025-03-21 18:34:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099046 |
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| Frequency | 27.7 |
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| Structure | |
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| Chemical Formula | C7H12O10S |
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| Molecular Mass | 288.0151 |
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| SMILES | O=C(O)C1(O)CC(O)C(OS(=O)(=O)O)C(CO)O1 |
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| InChI Key | VNIUEYHDRRSOPH-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 acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativeorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundhemiacetaloxaneprimary alcoholalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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