| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:58 UTC |
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| Update Date | 2025-03-25 00:47:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162340 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16O5S |
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| Molecular Mass | 236.0718 |
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| SMILES | C=CC1(C)CCC(C)(COS(=O)(=O)O)O1 |
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| InChI Key | PMNUXUFDEDZLRZ-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 monoesters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl sulfatesdialkyl ethershydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | sulfuric acid monoesterethertetrahydrofurandialkyl etheroxacycleorganic oxideorganic oxygen compoundalkyl sulfatealiphatic heteromonocyclic compoundsulfate-esterhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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