| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:30 UTC |
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| Update Date | 2025-03-25 00:56:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221013 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12NO4+ |
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| Molecular Mass | 258.0761 |
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| SMILES | O=C(O)c1ccc(C[n+]2ccccc2C(=O)O)cc1 |
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| InChI Key | OYCBBLJMQQOBRC-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-2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundbenzoylcarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationbenzoic acidazacycleheteroaromatic compoundhydroxypyridinebenzoic acid or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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