| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:37 UTC |
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| Update Date | 2025-03-25 00:47:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163842 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O8S |
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| Molecular Mass | 336.0879 |
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| SMILES | CC1(C)OC2C3COS(=O)(=O)OC3C3OC(C)(C)OC3C2O1 |
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| InChI Key | MYISLMGXXVQVED-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | sulfuric acid esters |
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| Direct Parent | sulfuric acid diesters |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dioxolanesalkyl sulfatesdioxathiolaneshydrocarbon derivativesketalsorganic oxidesorganooxygen compoundsoxacyclic compounds |
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| Substituents | dioxathiolanemeta-dioxolanealiphatic heteropolycyclic compoundoxacycleorganic oxideorganic oxygen compoundsulfuric acid diesteracetalketalalkyl sulfatehydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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