| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:39 UTC |
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| Update Date | 2025-03-21 18:28:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070897 |
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| Frequency | 42.4 |
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| Structure | |
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| Chemical Formula | C8H8N2O4 |
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| Molecular Mass | 196.0484 |
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| SMILES | NC(=O)c1cn(CC(=O)O)ccc1=O |
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| InChI Key | CVOSEJYKAACJIU-UHFFFAOYSA-N |
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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 acidscyclic ketonesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesnicotinamidesorganic 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 compoundnicotinamidecyclic ketonealpha-amino acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupmonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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