| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:08 UTC |
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| Update Date | 2025-03-25 01:01:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251990 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H5Cl3O4S |
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| Molecular Mass | 289.8974 |
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| SMILES | O=S(=O)(Oc1ccc(O)cc1)C(Cl)(Cl)Cl |
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| InChI Key | KUCUHZLHHHJBQE-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 | phenoxy compounds |
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| Direct Parent | phenoxy compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl chlorideshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsorganosulfonic acid esterssulfonic acid esterssulfonylstrihalomethanes |
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| Substituents | halomethaneorganosulfonic acid or derivativestrihalomethanealkyl chlorideorganochloride1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganohalogen compoundorganosulfonic acid esteraromatic homomonocyclic compoundsulfonic acid esterorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenolalkyl halidehydrocarbon derivativephenoxy compoundorganooxygen compound |
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