| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:36 UTC |
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| Update Date | 2025-03-21 18:03:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047193 |
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| Frequency | 70.6 |
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| Structure | |
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| Chemical Formula | C9H11N2O3+ |
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| Molecular Mass | 195.0764 |
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| SMILES | CC(C(=O)O)[n+]1cccc(C(N)=O)c1 |
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| InChI Key | XFKPWSMOADDJAG-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 acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyridinecarboxylic acids and derivativesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundnicotinamidealpha-amino acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupmonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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