| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:42:13 UTC |
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| Update Date | 2025-03-21 18:48:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00162609 |
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| Frequency | 38.8 |
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| Structure | |
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| Chemical Formula | C7H5N3O3 |
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| Molecular Mass | 179.0331 |
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| SMILES | O=C(O)c1cc2c(=O)[nH]cnc2[nH]1 |
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| InChI Key | TYFLJWDXIIGMDF-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonespyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativespyrrolo[2,3-d]pyrimidinesvinylogous amides |
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| Substituents | lactamcarboxylic acidpyrimidonecarboxylic acid derivativepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrimidine-6-carboxylic acidvinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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