| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:04 UTC |
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| Update Date | 2025-03-21 18:34:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100664 |
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| Frequency | 27.2 |
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| Structure | |
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| Chemical Formula | C7H5N3O2 |
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| Molecular Mass | 163.0382 |
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| SMILES | O=C(O)c1c[nH]c2ncncc12 |
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| InChI Key | PSULVWVAFBHGQB-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 derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidines and pyrimidine derivativespyrrole carboxylic acidspyrrolo[2,3-d]pyrimidinesvinylogous amides |
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| Substituents | vinylogous amidecarboxylic acidazacyclepyrrole-3-carboxylic acid or derivativesheteroaromatic compoundpyrimidine-5-carboxylic acidcarboxylic acid derivativepyrrolopyrimidineorganic oxidemonocarboxylic acid or derivativespyrrolo[2,3-d]pyrimidineorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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