| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:45 UTC |
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| Update Date | 2025-03-21 18:39:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124042 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C13H13N2O2+ |
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| Molecular Mass | 229.0972 |
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| SMILES | Nc1ccccc1C[n+]1cccc(C(=O)O)c1 |
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| InChI Key | JDSVQSONBLWVNI-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 | pyridine-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzene and substituted derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidpyridine-3-carboxylic acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationvinylogous amideazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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