| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:45 UTC |
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| Update Date | 2025-03-21 18:31:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085520 |
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| Frequency | 33.4 |
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| Structure | |
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| Chemical Formula | C8H7Cl3O4S |
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| Molecular Mass | 303.9131 |
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| SMILES | O=S(=O)(O)OC(c1ccccc1)C(Cl)(Cl)Cl |
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| InChI Key | ISCUEIOMHUFTSU-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl chloridesalkyl sulfateshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesalkyl chlorideorganochlorideorganohalogen compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esteralkyl halidehydrocarbon derivativesulfuric acid esterorganooxygen compound |
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