| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:08:09 UTC |
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| Update Date | 2025-03-24 21:56:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01938764 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H6N2O2 |
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| Molecular Mass | 138.0429 |
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| SMILES | Cc1cncc([N+](=O)[O-])c1 |
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| InChI Key | OQWXZZCTJZOSGH-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 | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyridines and derivatives |
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| Substituents | nitroaromatic compoundaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganic hyponitrite |
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