| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:32 UTC |
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| Update Date | 2025-03-25 00:59:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236778 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O6S |
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| Molecular Mass | 296.0355 |
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| SMILES | COc1cccc(Oc2ccccc2OS(=O)(=O)O)c1 |
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| InChI Key | JSWWTPKEYOSTBQ-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 | alkyl aryl ethersanisolesdiarylethershydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethersulfuric acid monoesteretherorganic sulfuric acid or derivativesalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativearylsulfatephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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