| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:14 UTC |
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| Update Date | 2025-03-25 00:56:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218061 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H4Cl2N2 |
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| Molecular Mass | 185.9752 |
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| SMILES | N#Cc1c(Cl)ccc(N)c1Cl |
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| InChI Key | BNPFHQUYMVSYSZ-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 derivativesnitrilesorganochloridesorganopnictogen compoundsprimary amines |
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| Substituents | aryl chloridenitrileorganochlorideorganohalogen compoundbenzonitrilearyl halide1,3-dichlorobenzenearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundaminecarbonitrile |
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