| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:49 UTC |
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| Update Date | 2025-03-25 00:46:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153050 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9N3O4 |
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| Molecular Mass | 211.0593 |
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| SMILES | NC(=O)c1cc(CO)c(C(=O)O)nc1N |
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| InChI Key | YQMXAKGNJSTVGL-UHFFFAOYSA-N |
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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 | nicotinamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acidsaromatic alcoholsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary aminesprimary carboxylic acid amidespyridine-2-carboxylic acidsvinylogous amides |
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| Substituents | aromatic alcoholprimary carboxylic acid amidecarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidpolyhalopyridinenicotinamidecarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactamalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundpyridine carboxylic acidhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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