| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:41 UTC |
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| Update Date | 2025-03-21 18:05:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056656 |
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| Frequency | 56.2 |
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| Structure | |
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| Chemical Formula | C13H12N2O |
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| Molecular Mass | 212.095 |
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| SMILES | O=C(NCc1ccccc1)c1cccnc1 |
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| InChI Key | JIAOUYONZMRJJD-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 | azacyclic compoundsbenzene and substituted derivativescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesnicotinamidesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compoundazacyclenicotinamideheteroaromatic compoundcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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