| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:48 UTC |
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| Update Date | 2025-03-25 00:56:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221733 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17Cl5O6 |
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| Molecular Mass | 431.9468 |
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| SMILES | OC1C(CCl)OC(CCl)(OC2(CCl)OC(CCl)C(O)C2Cl)C1O |
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| InChI Key | TVGRHEMKVAATIY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | ethers |
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| Direct Parent | ketals |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl chlorideschlorohydrinshydrocarbon derivativesmonosaccharidesorganochloridesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholchlorohydrintetrahydrofuranhalohydrinalkyl chlorideorganochloridemonosaccharideorganohalogen compoundoxacyclesaccharideketalaliphatic heteromonocyclic compoundsecondary alcoholalkyl halidehydrocarbon derivativeorganoheterocyclic compound |
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