| 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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