| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:08:10 UTC |
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| Update Date | 2025-03-24 21:29:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01796627 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C5H5N3O2 |
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| Molecular Mass | 139.0382 |
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| SMILES | Nc1ccnc(O)c1N=O |
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| InChI Key | ZRQWJMKXJCZSNN-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 | pyridines and derivatives |
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| Subclass | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsc-nitroso compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | organic nitroso compoundaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundc-nitroso compoundhydrocarbon derivativeprimary amine2-halopyridineorganic nitrogen compoundamineorganooxygen compound |
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