| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:41 UTC |
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| Update Date | 2025-03-25 00:50:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180080 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6ClN |
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| Molecular Mass | 151.0189 |
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| SMILES | Cc1cc(Cl)ccc1C#N |
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| InChI Key | ZZAJFWXXFZTTLH-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 | benzonitriles |
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| Direct Parent | benzonitriles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chlorideschlorobenzeneshydrocarbon derivativesnitrilesorganochloridesorganonitrogen compoundsorganopnictogen compoundstoluenes |
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| Substituents | aryl chloridechlorobenzenenitrileorganochlorideorganohalogen compoundbenzonitrilearyl halidearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenetoluenecarbonitrile |
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