| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:30 UTC |
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| Update Date | 2025-03-21 18:36:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111552 |
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| Frequency | 46.7 |
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| Structure | |
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| Chemical Formula | C8H5N3O4 |
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| Molecular Mass | 207.028 |
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| SMILES | O=C(O)c1ccc2[nH]c(=O)[nH]c(=O)c2n1 |
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| InChI Key | BWLULNRDBVOKMB-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 | pyridopyrimidines |
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| Direct Parent | pyridopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acidspyrimidonesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativeslactamcarboxylic acidpolyhalopyridinepyrimidonecarboxylic acid derivativepyrimidineorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compound2-halopyridinevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyridine carboxylic acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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