| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:57 UTC |
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| Update Date | 2025-03-21 18:36:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112630 |
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| Frequency | 23.5 |
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| Structure | |
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| Chemical Formula | C11H12O7S |
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| Molecular Mass | 288.0304 |
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| SMILES | O=C(CCc1ccc(O)cc1)CC(=O)OS(=O)(=O)O |
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| InChI Key | SEDQIYJYEYDKTE-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 | keto acids and derivatives |
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| Subclass | beta-keto acids and derivatives |
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| Direct Parent | beta-keto acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativeshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-keto acidketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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