| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:57:53 UTC |
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| Update Date | 2025-03-24 20:32:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01484492 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C4H3ClN4 |
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| Molecular Mass | 142.0046 |
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| SMILES | N#Cc1c(Cl)n[nH]c1N |
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| InChI Key | SGDKFPMPNYDPKN-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 derivativesnitrilesorganochloridesorganopnictogen compoundsprimary aminespyrazoles |
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| Substituents | aryl chloridenitrilearomatic heteromonocyclic compoundazacycleorganochlorideheteroaromatic compoundpyrazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundaminecarbonitrileorganoheterocyclic compoundazole |
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