| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:24 UTC |
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| Update Date | 2025-03-21 18:01:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032296 |
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| Frequency | 113.1 |
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| Structure | |
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| Chemical Formula | C7H3Cl2N |
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| Molecular Mass | 170.9643 |
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| SMILES | N#Cc1ccc(Cl)cc1Cl |
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| InChI Key | GRUHREVRSOOQJG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | halobenzenes |
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| Direct Parent | dichlorobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridesbenzonitrileshydrocarbon derivativesnitrilesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aryl chloridenitrileorganochlorideorganohalogen compoundbenzonitrilearyl halide1,3-dichlorobenzenearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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