| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:00 UTC |
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| Update Date | 2025-03-21 18:41:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134072 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C12H11N3O |
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| Molecular Mass | 213.0902 |
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| SMILES | O=C(NCc1ccccn1)c1cccnc1 |
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| InChI Key | SWINCIBSAYTBMF-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 | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesnicotinamidesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundazacyclenicotinamideheteroaromatic compoundcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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