| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:14 UTC |
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| Update Date | 2025-03-25 00:52:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194879 |
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| Frequency | 0.5 |
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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 | CCOC(=O)CCc1cccc(OS(=O)(=O)O)c1 |
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| InChI Key | GFMUYWYQMIUSQR-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 | carbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundphenylsulfatefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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