| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:47 UTC |
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| Update Date | 2025-03-21 18:30:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083254 |
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| Frequency | 34.6 |
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| Structure | |
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| Chemical Formula | C18H29Cl3O13 |
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| Molecular Mass | 558.0674 |
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| SMILES | OCC1OC(OCC2OC(OC3(CCl)OC(CCl)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1Cl |
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| InChI Key | GNVFPFGYDNGTTJ-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 compoundsoxanesprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholchlorohydrintetrahydrofuranhalohydrinalkyl chlorideorganochloridemonosaccharideorganohalogen compoundoxacyclesaccharideketalaliphatic heteromonocyclic compoundsecondary alcoholalkyl halidehydrocarbon derivativeoxaneprimary alcoholorganoheterocyclic compound |
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