| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:21 UTC |
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| Update Date | 2025-03-25 00:50:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181618 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H3Cl9O |
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| Molecular Mass | 441.7381 |
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| SMILES | OC1C2C(Cl)(Cl)C1(Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl |
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| InChI Key | SWRBQJATSCIUOK-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 | cyclic alcohols and derivatives |
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| Geometric Descriptor | aliphatic homopolycyclic compounds |
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| Alternative Parents | alkyl chlorideschloroalkeneschlorohydrinshydrocarbon derivativesorganochloridessecondary alcoholsvinyl chlorides |
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| Substituents | chlorohydrinhalohydrinalkyl chloridechloroalkeneorganochloridecyclic alcoholorganohalogen compoundaliphatic homopolycyclic compoundcyclobutanolvinyl halidehaloalkenesecondary alcoholalkyl halidehydrocarbon derivativevinyl chloride |
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