Record Information |
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HMDB Status | predicted |
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Creation Date | 2024-02-20 23:50:44 UTC |
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Update Date | 2025-03-21 18:02:47 UTC |
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HMDB ID | HMDB0135676 |
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Metabolite Identification |
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DeepMet ID | DMID00040276 |
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Name | [2-methoxy-4-(3-oxobutyl)phenyl]oxidanesulfonic acid |
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Frequency | 85.9 |
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Structure | |
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Chemical Formula | C11H14O6S |
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Molecular Mass | 274.0511 |
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SMILES | COc1cc(CCC(C)=O)ccc1OS(=O)(=O)O |
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InChI Key | RVQGXLBWVGRCSD-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 | arylsulfates |
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Direct Parent | phenylsulfates |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | alkyl aryl ethersanisoleshydrocarbon derivativesketonesmethoxybenzenesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupetheralkyl aryl ethermethoxybenzeneketonearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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