| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:09 UTC |
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| Update Date | 2025-03-25 00:50:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181174 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17Cl5O5 |
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| Molecular Mass | 415.9519 |
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| SMILES | OC1CC(OC2(CCl)OC(CCl)C(O)C2O)C(Cl)C(Cl)C1Cl |
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| InChI Key | FTQIUKPXVFDZEH-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 | alcohols and polyols |
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| Direct Parent | cyclohexanols |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl chlorideschlorohydrinscyclic alcohols and derivativescyclohexyl halideshydrocarbon derivativesketalsmonosaccharidesorganochloridesoxacyclic compoundstetrahydrofurans |
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| Substituents | chlorohydrintetrahydrofuranhalohydrinalkyl chlorideorganochloridecyclohexanolmonosaccharidecyclohexyl halidecyclic alcoholorganohalogen compoundoxacyclesaccharideacetalketalaliphatic heteromonocyclic compoundalkyl halidehydrocarbon derivativeorganoheterocyclic compound |
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