| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:41 UTC |
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| Update Date | 2025-03-25 00:54:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205101 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9ClO6S |
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| Molecular Mass | 267.9808 |
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| SMILES | O=S(=O)(O)OC(CO)c1ccc(Cl)c(O)c1 |
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| InChI Key | UWVGSLIGOXUMFZ-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 | phenols |
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| Subclass | halophenols |
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| Direct Parent | halophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesaryl chlorideschlorobenzeneshydrocarbon derivativeso-chlorophenolsorganic oxidesorganochloridesprimary alcoholssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic oxidealkyl sulfateprimary alcoholaryl chloride2-chlorophenolchlorobenzenealcoholorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundsulfate-esterhydrocarbon derivativehalobenzenesulfuric acid esterorganooxygen compound |
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