| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:35 UTC |
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| Update Date | 2025-03-21 18:31:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085123 |
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| Frequency | 45.7 |
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| Structure | |
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| Chemical Formula | C8H7N5O3 |
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| Molecular Mass | 221.0549 |
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| SMILES | Nc1nc2ncc(C(=O)O)c(N)c2c(=O)[nH]1 |
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| InChI Key | FIOWHQKCRPHYOK-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 | pyridopyrimidines |
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| Subclass | pyrido[2,3-d]pyrimidines |
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| Direct Parent | pyrido[2,3-d]pyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halopyridinesamino acidsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary aminespyridine-3-carboxylic acidspyrimidonesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativeslactamcarboxylic acidamino acid or derivativesamino acidpyridine-3-carboxylic acidpolyhalopyridinepyrimidonecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrido[2,3-d]pyrimidinepyridine carboxylic acidhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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