| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:27:09 UTC |
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| Update Date | 2025-03-21 22:18:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00549645 |
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| Frequency | 3.0 |
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| Structure | |
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| Chemical Formula | C6H6N4 |
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| Molecular Mass | 134.0592 |
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| SMILES | CNc1ncncc1C#N |
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| InChI Key | ISFQXIVBLJPYSK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | secondary alkylarylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsnitrilesorganopnictogen compoundspyrimidines and pyrimidine derivatives |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacycleheteroaromatic compoundsecondary aliphatic/aromatic aminepyrimidineorganopnictogen compoundhydrocarbon derivativeimidolactamcarbonitrileorganoheterocyclic compound |
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