| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:24 UTC |
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| Update Date | 2025-03-25 00:50:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181712 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O9S |
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| Molecular Mass | 270.0046 |
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| SMILES | O=C(O)C1(O)CC(O)C(COS(=O)(=O)O)=CO1 |
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| InChI Key | LHKQARIEZZQELJ-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 | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl sulfatesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativeorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundhemiacetalalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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