Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:51:59 UTC |
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Update Date | 2025-03-25 00:50:46 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02183029 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C12H22O14S |
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Molecular Mass | 422.073 |
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SMILES | O=S(=O)(O)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C1O |
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InChI Key | ZBVRLSYUNDFTHE-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 | alcohols and polyols |
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Direct Parent | cyclohexanols |
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Geometric Descriptor | aliphatic heteromonocyclic compounds |
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Alternative Parents | acetalsalkyl sulfatescyclitols and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssulfuric acid monoesters |
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Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativescyclohexanolmonosaccharidecyclitol or derivativescyclic alcoholoxacyclesaccharideorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundsulfate-esterhydrocarbon derivativeoxanesulfuric acid esterprimary alcoholorganoheterocyclic compound |
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