| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:26 UTC |
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| Update Date | 2025-03-25 00:56:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220892 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O8S |
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| Molecular Mass | 256.0253 |
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| SMILES | O=C1CCC(O)C(O)C(COS(=O)(=O)O)O1 |
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| InChI Key | SQVHVBOGAAUJPC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | lactones |
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| Subclass | lactones |
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| Direct Parent | lactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl sulfatescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxepanessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholsulfuric acid monoestercaprolactonecarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativelactoneoxepaneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralkyl sulfatealiphatic heteromonocyclic compoundsecondary alcoholsulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound1,2-diol |
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