| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:51:25 UTC |
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| Update Date | 2025-03-24 20:55:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01612743 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H7N3O |
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| Molecular Mass | 137.0589 |
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| SMILES | O=c1ccnc2n1CCN2 |
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| InChI Key | YUBUYHNZLCZZKP-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 | pyrimidones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | lactamazacycleheteroaromatic compoundpyrimidonesecondary aminesecondary aliphatic/aromatic amineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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