| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:41 UTC |
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| Update Date | 2025-03-21 18:04:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049791 |
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| Frequency | 66.1 |
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| Structure | |
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| Chemical Formula | C10H12O6S |
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| Molecular Mass | 260.0355 |
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| SMILES | COC(=O)CCc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | YIBHNLOILXJINV-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 compoundsfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic 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 derivativesmethyl esterorganic oxygen compoundcarboxylic acid estersulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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