| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:54 UTC |
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| Update Date | 2025-03-25 00:49:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175979 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7Cl6N |
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| Molecular Mass | 338.871 |
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| SMILES | ClC1=C(Cl)C2(Cl)C3CNCC3C1(Cl)C2(Cl)Cl |
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| InChI Key | AYAURMBEHLQEDW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | isoindoles and derivatives |
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| Subclass | isoindoles |
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| Direct Parent | isoindoles |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alkyl chloridesazacyclic compoundschloroalkenesdialkylamineshydrocarbon derivativesisoindolinesorganochloridesorganopnictogen compoundspyrrolidinesvinyl chlorides |
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| Substituents | secondary aliphatic amineazacycleisoindolealkyl chloridechloroalkeneorganochloridesecondary amineorganohalogen compoundaliphatic heteropolycyclic compoundisoindolinevinyl halidehaloalkeneorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundvinyl chloridepyrrolidineamine |
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