| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:10 UTC |
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| Update Date | 2025-03-21 18:06:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064909 |
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| Frequency | 47.3 |
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| Structure | |
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| Chemical Formula | C10H12O7S |
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| Molecular Mass | 276.0304 |
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| SMILES | COS(=O)(=O)OC(=O)CC(O)c1cccc(O)c1 |
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| InChI Key | IWFBPEFNDKBFHX-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 diesters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesaromatic alcoholsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidhydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfuric acid diesteralkyl sulfatesecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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