| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:57 UTC |
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| Update Date | 2025-03-25 00:46:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153374 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O7S |
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| Molecular Mass | 264.0304 |
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| SMILES | COc1ccc(OS(=O)(=O)O)c(C(O)CO)c1 |
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| InChI Key | PWQUOYORKUZTTK-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 | 1,2-diolsalkyl aryl ethersanisolesaromatic alcoholshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundsprimary alcoholssecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietysulfuric acid monoesteretheralkyl aryl etherphenylsulfateorganic oxideprimary alcohol1,2-diolalcoholmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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