| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:01 UTC |
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| Update Date | 2025-03-21 17:59:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022062 |
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| Frequency | 180.2 |
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| Structure | |
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| Chemical Formula | C12H7Cl9 |
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| Molecular Mass | 465.7744 |
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| SMILES | ClC1=C(Cl)C2(Cl)C3C4C(Cl)C(Cl)C(Cl)C4C3C1(Cl)C2(Cl)Cl |
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| InChI Key | BXFPCTNXPNWLEQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organohalogen compounds |
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| Class | vinyl halides |
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| Subclass | vinyl chlorides |
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| Direct Parent | vinyl chlorides |
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| Geometric Descriptor | aliphatic homopolycyclic compounds |
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| Alternative Parents | alkyl chlorideschloroalkeneshydrocarbon derivativesorganochlorides |
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| Substituents | alkyl chloridechloroalkeneorganochloridehaloalkenealkyl halidehydrocarbon derivativevinyl chloridealiphatic homopolycyclic compound |
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