| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:25 UTC |
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| Update Date | 2025-03-21 18:29:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080011 |
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| Frequency | 36.4 |
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| Structure | |
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| Chemical Formula | C13H10Cl2O6S |
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| Molecular Mass | 363.9575 |
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| SMILES | COc1cc(Cl)ccc1Oc1ccc(Cl)cc1OS(=O)(=O)O |
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| InChI Key | HGRPHHTVZIQCAH-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 ethersanisolesaryl chlorideschlorobenzenesdiarylethershydrocarbon derivativesmethoxybenzenesorganic oxidesorganochloridesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethersulfuric acid monoesteretherorganochloridealkyl aryl etherorganohalogen compoundphenylsulfateorganic oxidearylsulfatearyl chloridechlorobenzeneorganic sulfuric acid or derivativesmethoxybenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativehalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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