| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:01 UTC |
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| Update Date | 2025-03-21 18:31:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086165 |
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| Frequency | 96.2 |
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| Structure | |
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| Chemical Formula | C6H5N5O |
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| Molecular Mass | 163.0494 |
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| SMILES | Nc1ncc2c(=O)ncnc-2[nH]1 |
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| InChI Key | VQMMXXYJSUBHQS-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 derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary amines |
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| Substituents | azacycleheteroaromatic compoundpyrimidoneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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