| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:42 UTC |
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| Update Date | 2025-03-25 00:59:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234925 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9ClN2 |
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| Molecular Mass | 204.0454 |
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| SMILES | Clc1ccc2c(c1)CCc1cncn1-2 |
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| InChI Key | SQMKISWBXHOPKK-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aryl chlorideazacycleorganochlorideheteroaromatic compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundazolen-substituted imidazole |
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