| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:51 UTC |
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| Update Date | 2025-03-25 00:51:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184965 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9N3 |
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| Molecular Mass | 183.0796 |
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| SMILES | N#Cc1cccc(Cn2ccnc2)c1 |
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| InChI Key | BTCQQQUDIZILEJ-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacycleheteroaromatic compoundbenzonitrileimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganoheterocyclic compoundazolen-substituted imidazole |
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