| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:07:29 UTC |
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| Update Date | 2025-03-21 22:09:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00503069 |
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| Frequency | 3.4 |
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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 | Cc1ncc(C#N)c(N)n1 |
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| InChI Key | YBPNIILOUYAGIF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidines and pyrimidine derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsnitrilesorganopnictogen compoundsprimary amines |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamaminecarbonitrile |
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