| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:48 UTC |
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| Update Date | 2025-03-21 18:29:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076048 |
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| Frequency | 38.8 |
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| Structure | |
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| Chemical Formula | C7H6N4O2 |
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| Molecular Mass | 178.0491 |
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| SMILES | Nc1ncc2c(C(=O)O)c[nH]c2n1 |
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| InChI Key | PTSQKPOLBAWMKD-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 compoundsamino acidsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativespyrrole carboxylic acidspyrrolo[2,3-d]pyrimidinesvinylogous amides |
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| Substituents | carboxylic acidpyrrole-3-carboxylic acid or derivativesamino acid or derivativesamino acidcarboxylic 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 derivativeprimary amineorganic nitrogen compoundpyrrole-3-carboxylic acidamineorganooxygen compound |
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