| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:59:28 UTC |
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| Update Date | 2025-03-25 01:15:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02338107 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H42O30S2 |
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| Molecular Mass | 898.1202 |
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| SMILES | O=C(O)C1OC(OCC2C(O)C(O)C(O)C(OC3C(CO)OC(OC4C(O)C(O)OC(COS(=O)(=O)O)C4O)OC3COS(=O)(=O)O)C2O)(C(=O)O)C(O)C(O)C1O |
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| InChI Key | FBQGODQDPLTFLV-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 | o-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxanesalkyl sulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidscyclitols and derivativescyclohexanolsdialkyl ethersdicarboxylic acids and derivativesglucuronic acid derivativeshemiacetalshydrocarbon derivativesketalsmonosaccharidesorganic oxidesortho estersoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupethercarboxylic acidortho estero-glucuronidemonosaccharidecarboxylic acid orthoestercarboxylic acid derivativepyran carboxylic aciddialkyl ether1-o-glucuronidebeta-hydroxy acidorganic oxideacetalketalalkyl sulfatealiphatic heteromonocyclic compoundhemiacetalorthocarboxylic acid derivativeoxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativescyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholoxacyclepyransecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativesulfuric acid estermeta-dioxane |
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