| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:44 UTC |
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| Update Date | 2025-03-25 00:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237233 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O12S2 |
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| Molecular Mass | 375.977 |
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| SMILES | O=C(O)C(=O)CSC1OC(C(=O)O)C(O)C(O)C1OS(=O)(=O)O |
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| InChI Key | RPSOSJZTMQOCRR-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | s-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl sulfatesalpha-hydroxy ketonesalpha-keto acids and derivativesbeta hydroxy acids and derivativescarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesmonothioacetalsorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfenyl compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groups-glucuronidecarboxylic acidmonosaccharideorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativepyran carboxylic acidketonemonothioacetalbeta-hydroxy acidorganic oxidealkyl sulfatealiphatic heteromonocyclic compound1-s-glucuronidealpha-keto acidoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativessulfenyl compoundhydroxy acidoxacyclepyranketo acidsecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativesulfuric acid ester |
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