Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:51:11 UTC |
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Update Date | 2025-03-25 00:50:29 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02181220 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C8H12O11S |
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Molecular Mass | 316.01 |
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SMILES | O=C(O)CC1(OS(=O)(=O)O)CC(O)C(O)C(C(=O)O)O1 |
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InChI Key | OLCUUHMXARXKAB-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 | c-glucuronides |
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Geometric Descriptor | aliphatic heteromonocyclic compounds |
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Alternative Parents | 1,2-diolsalkyl sulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
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Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundoxaneorganoheterocyclic compound1,2-diolc-glucuronidealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidoxacyclepyransecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativesulfuric acid ester |
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