| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:10:21 UTC |
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| Update Date | 2025-03-21 22:11:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00509829 |
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| Frequency | 3.3 |
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| Structure | |
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| Chemical Formula | C6H9N3 |
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| Molecular Mass | 123.0796 |
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| SMILES | Cc1cc(CN)ncn1 |
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| InChI Key | ZYQONZLGCFLFIG-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 derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyrimidine |
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