| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:25 UTC |
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| Update Date | 2025-03-21 18:40:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130439 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C9H9ClO7S |
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| Molecular Mass | 295.9758 |
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| SMILES | COc1cc(CC(=O)O)cc(Cl)c1OS(=O)(=O)O |
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| InChI Key | UWZVZXDEEYJOTR-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 ethersanisolesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethercarboxylic acidorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundphenylsulfateorganic oxidearyl chloridechlorobenzenemethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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