| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:53 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 | DMID02162143 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O10S |
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| Molecular Mass | 288.0151 |
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| SMILES | O=C(O)C1OC(CO)(COS(=O)(=O)O)C(O)C1O |
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| InChI Key | KPNIHEUFDRIGDG-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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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 alcoholssulfuric acid monoesterstetrahydrofurans |
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| Substituents | sulfuric acid monoestercarbonyl groupethercarboxylic acidmonosaccharidecarboxylic acid derivativedialkyl etherbeta-hydroxy acidsaccharideorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundorganoheterocyclic compoundalcoholorganic sulfuric acid or derivativestetrahydrofuranoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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