| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:42 UTC |
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| Update Date | 2025-03-21 18:06:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063807 |
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| Frequency | 94.8 |
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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)c1c[nH]c2nc[nH]c(=O)c12 |
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| InChI Key | KQQLBNGGTHRMDR-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 | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonespyrrole carboxylic acidspyrrolo[2,3-d]pyrimidinesvinylogous amides |
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| Substituents | lactamcarboxylic acidpyrrole-3-carboxylic acid or derivativespyrimidonecarboxylic acid derivativepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundvinylogous amideazacycleheteroaromatic compoundpyrimidine-5-carboxylic acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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