| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:50 UTC |
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| Update Date | 2025-03-25 00:56:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219480 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O7S |
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| Molecular Mass | 352.0617 |
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| SMILES | COc1cc(CC(=O)OCc2ccccc2)ccc1OS(=O)(=O)O |
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| InChI Key | WPRCAAORRKHCMF-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 ethersanisolesbenzyloxycarbonylscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | benzyloxycarbonylphenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupetheralkyl aryl ethercarboxylic acid derivativephenylsulfateorganic oxidemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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