| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:57 UTC |
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| Update Date | 2025-03-25 00:51:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185188 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N3O4+ |
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| Molecular Mass | 278.1135 |
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| SMILES | NC(=O)c1ccc[n+](CC2C=CC(C(N)C(=O)O)O2)c1 |
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| InChI Key | SYRHVNONOBXZGE-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 |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkyl ethersdihydrofuransheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidespyridinecarboxylic acids and derivativesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundnicotinamidedialkyl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compounddihydrofuranvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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