| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:22 UTC |
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| Update Date | 2025-03-25 00:46:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156639 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H6O9S |
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| Molecular Mass | 241.9733 |
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| SMILES | O=C1CC(OS(=O)(=O)O)C(O)(C(=O)O)O1 |
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| InChI Key | DWUDWNJKNNZVDP-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 | gamma butyrolactones |
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| Direct Parent | gamma butyrolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl sulfatesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compoundssulfuric acid monoesterstetrahydrofurans |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativestetrahydrofuranalpha-hydroxy acidhydroxy acidcarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esteralkyl sulfatealiphatic heteromonocyclic compounddicarboxylic acid or derivativessulfate-esterhemiacetalhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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