| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:53:31 UTC |
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| Update Date | 2025-03-24 20:04:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01331828 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C4H5N5O |
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| Molecular Mass | 139.0494 |
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| SMILES | Nc1ncnc(N=O)c1N |
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| InChI Key | PWTMCOXVFKKNII-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 compoundsc-nitroso compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | organic nitroso compoundaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundpyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundc-nitroso compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamamine |
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