| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:47 UTC |
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| Update Date | 2025-03-21 18:40:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128920 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C7H8O7S |
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| Molecular Mass | 235.9991 |
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| SMILES | COc1c(O)ccc(OS(=O)(=O)O)c1O |
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| InChI Key | LDCZJHRGBDQUFD-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundsresorcinolssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesterether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherresorcinolphenylsulfateorganic oxide1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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