| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:08 UTC |
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| Update Date | 2025-03-25 00:57:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222477 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7N3O |
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| Molecular Mass | 161.0589 |
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| SMILES | O=C1NCN=C1c1cccnc1 |
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| InChI Key | QWLKYGCWLVGYOR-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 | pyridines and derivatives |
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| Direct Parent | pyridines and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolinonesketimineslactamsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amides |
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| Substituents | ketiminecarbonyl grouplactamaromatic heteromonocyclic compoundiminecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundimidazolinoneazacycleheteroaromatic compoundorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundimidazoline3-imidazolinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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