| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:47 UTC |
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| Update Date | 2025-03-21 18:36:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112228 |
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| Frequency | 23.7 |
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| Structure | |
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| Chemical Formula | C9H10NO4+ |
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| Molecular Mass | 196.0604 |
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| SMILES | CC(C(=O)O)[n+]1cccc(C(=O)O)c1 |
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| InChI Key | XLKFCVXROVFKGZ-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridine-3-carboxylic acidsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinemethylpyridinepyridineorganic oxygen compoundpyridine carboxylic aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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