| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:57:00 UTC |
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| Update Date | 2025-03-24 21:51:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01912378 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H5N3O |
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| Molecular Mass | 135.0433 |
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| SMILES | Cc1ncc(C#N)c(O)n1 |
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| InChI Key | GSPKYRXUBCRKIF-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 | hydroxypyrimidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyrimidineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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