| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:10 UTC |
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| Update Date | 2025-03-21 18:37:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115592 |
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| Frequency | 22.8 |
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| Structure | |
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| Chemical Formula | C8HCl3N2 |
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| Molecular Mass | 229.9205 |
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| SMILES | N#Cc1c(Cl)cc(Cl)c(C#N)c1Cl |
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| InChI Key | YVSUWIHEYZXJGQ-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 compounds |
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| Substituents | aryl chloridechlorobenzenenitrileorganochlorideorganohalogen compoundbenzonitrilearyl halidearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenecarbonitrile |
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