| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:41 UTC |
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| Update Date | 2025-03-25 00:57:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223753 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15N2O2+ |
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| Molecular Mass | 243.1128 |
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| SMILES | NC(=O)c1ccc[n+](COCc2ccccc2)c1 |
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| InChI Key | SDCRBOWROYWPLP-UHFFFAOYSA-O |
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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 cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesvinylogous amidemonocyclic benzene moietyaromatic heteromonocyclic compoundazacyclenicotinamideheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganooxygen compound |
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