| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:06 UTC |
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| Update Date | 2025-03-25 00:46:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153731 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22O17S2 |
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| Molecular Mass | 514.0298 |
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| SMILES | CS(=O)(=O)OCC1OC(OC2OC(C(=O)O)C(O)C(O)C2OS(=O)(=O)O)C(O)C(O)C1O |
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| InChI Key | ZBOIYYBIXNSNJD-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 | acetalsalkyl sulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmethanesulfonatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganosulfonic acid estersoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfonic acid esterssulfonylssulfuric acid monoesters |
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| Substituents | organosulfonic acid or derivativessulfuric acid monoestercarbonyl groupcarboxylic acido-glucuronidemonosaccharideorganosulfur compoundcarboxylic acid derivativepyran carboxylic acid1-o-glucuronidesulfonic acid esterbeta-hydroxy acidorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidorganosulfonic acid estermethanesulfonateoxacyclemonocarboxylic acid or derivativessulfonylorganic sulfonic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativesulfuric acid ester |
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