| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:37 UTC |
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| Update Date | 2025-03-25 00:47:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163839 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13Cl2NO6S |
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| Molecular Mass | 320.9841 |
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| SMILES | CC1(C)OC2OC2(COS(N)(=O)=O)OCC1(Cl)Cl |
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| InChI Key | JXCYFGHESUPHBI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | dioxepanes |
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| Subclass | 1,4-dioxepanes |
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| Direct Parent | 1,4-dioxepanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alkyl chloridesepoxideshydrocarbon derivativesorganic nitrogen compoundsorganic oxidesorganic sulfuric acids and derivativesorganochloridesorganooxygen compoundsoxacyclic compounds |
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| Substituents | organic sulfuric acid or derivativesalkyl chlorideorganochloride1,4-dioxepaneoxiraneorganohalogen compoundaliphatic heteropolycyclic compoundoxacycleorganic oxideorganic oxygen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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