| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:47:33 UTC |
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| Update Date | 2025-03-25 01:34:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02449930 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H6N4 |
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| Molecular Mass | 122.0592 |
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| SMILES | CNc1nc[nH]c1C#N |
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| InChI Key | QCDRYRFLBNBYTC-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 derivativesimidazolesimidolactamsnitrilesorganopnictogen compounds |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacycleheteroaromatic compoundsecondary aliphatic/aromatic amineimidazoleorganopnictogen compoundhydrocarbon derivativeimidolactamcarbonitrileorganoheterocyclic compoundazole |
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