| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:16 UTC |
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| Update Date | 2025-03-25 00:59:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238445 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9N3O4 |
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| Molecular Mass | 247.0593 |
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| SMILES | O=C(O)c1cc(=O)[nH]c(=O)n1Cc1ccccn1 |
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| InChI Key | HFOLMLNQAUIRDM-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidinecarboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonesvinylogous amides |
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| Substituents | lactamcarboxylic acidaromatic heteromonocyclic compoundpyrimidonecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinepyrimidine-6-carboxylic acidvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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