| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:25 UTC |
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| Update Date | 2025-03-25 00:50:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179460 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O7S |
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| Molecular Mass | 312.0304 |
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| SMILES | COc1cccc(OS(=O)(=O)O)c1Oc1ccc(O)cc1 |
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| InChI Key | IUVHUNVJEPHYND-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesdiarylethershydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethersulfuric acid monoesteretherorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundanisolesulfate-esterphenolhydrocarbon derivativearylsulfatephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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