| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:54 UTC |
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| Update Date | 2025-03-25 00:47:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162207 |
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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=C(O)CC1CC(O)C(COS(=O)(=O)O)O1 |
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| InChI Key | QTMHKLKCUHEGDQ-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 sulfatescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholsulfuric acid monoestercarbonyl groupethercarboxylic acidtetrahydrofuranmonosaccharidecarboxylic acid derivativedialkyl etheroxacyclesaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl sulfatealiphatic heteromonocyclic compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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