| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:58 UTC |
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| Update Date | 2025-03-25 00:52:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194264 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10Cl3N |
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| Molecular Mass | 236.9879 |
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| SMILES | CN1CC2C(C1)C1(Cl)C(Cl)=C(Cl)C21 |
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| InChI Key | AIRYRLZVKQWCOO-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 compoundsazepaneschloroalkeneshydrocarbon derivativesisoindolinesn-alkylpyrrolidinesorganochloridesorganopnictogen compoundstrialkylaminesvinyl chlorides |
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| Substituents | alkyl chlorideorganochlorideorganohalogen compoundaliphatic heteropolycyclic compoundisoindolineorganonitrogen compoundorganopnictogen compoundalkyl halidepyrrolidinetertiary amineazacyclen-alkylpyrrolidineisoindolechloroalkenetertiary aliphatic amineazepanevinyl halidehaloalkenehydrocarbon derivativeorganic nitrogen compoundvinyl chlorideamine |
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