| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:10:05 UTC |
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| Update Date | 2025-03-24 21:30:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01801316 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C5H4ClN3 |
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| Molecular Mass | 141.0094 |
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| SMILES | Cn1cnc(Cl)c1C#N |
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| InChI Key | SOTBVAXIUDNHGW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organohalogen compounds |
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| Class | aryl halides |
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| Subclass | aryl chlorides |
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| Direct Parent | aryl chlorides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesnitrilesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aryl chloridenitrilearomatic heteromonocyclic compoundazacycleorganochlorideheteroaromatic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganoheterocyclic compoundazolen-substituted imidazole |
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