| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:00 UTC |
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| Update Date | 2025-03-25 00:46:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158014 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12NO5+ |
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| Molecular Mass | 226.071 |
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| SMILES | O=C(O)c1ccc[n+](CCC(O)C(=O)O)c1 |
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| InChI Key | FDKFYFOFAYKISC-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 | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinehydroxy acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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