| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:31 UTC |
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| Update Date | 2025-03-21 18:04:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051663 |
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| Frequency | 63.2 |
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| Structure | |
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| Chemical Formula | C11H14O7S |
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| Molecular Mass | 290.046 |
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| SMILES | COC(=O)CCc1ccc(OS(=O)(=O)O)c(OC)c1 |
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| InChI Key | INUBLBBSQSALLH-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 ethersanisolescarbonyl compoundsfatty acid estershydrocarbon derivativesmethoxybenzenesmethyl estersmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupetheralkyl aryl ethercarboxylic acid derivativephenylsulfateorganic oxidemethyl estermethoxybenzenearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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