| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:14 UTC |
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| Update Date | 2025-03-25 01:02:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254433 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7ClO4S |
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| Molecular Mass | 233.9754 |
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| SMILES | C=Cc1ccc(OS(=O)(=O)O)cc1Cl |
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| InChI Key | KEXHAXOUJYWGOQ-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 | aryl chlorideschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietysulfuric acid monoesterorganochlorideorganohalogen compoundaryl halidearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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