| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:01 UTC |
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| Update Date | 2025-03-21 18:05:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059815 |
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| Frequency | 52.5 |
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| Structure | |
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| Chemical Formula | C8H2Cl3N3 |
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| Molecular Mass | 244.9314 |
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| SMILES | N#Cc1c(N)c(Cl)c(Cl)c(C#N)c1Cl |
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| InChI Key | TVPBUTWXLGJXNY-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 derivativesnitrilesorganochloridesorganopnictogen compoundsprimary amines |
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| Substituents | aryl chloridechlorobenzenenitrileorganochlorideorganohalogen compoundbenzonitrilearyl halidearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundhalobenzeneaminecarbonitrile |
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