| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:55 UTC |
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| Update Date | 2025-03-21 18:05:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057216 |
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| Frequency | 55.5 |
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| Structure | |
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| Chemical Formula | C7H5N3O4 |
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| Molecular Mass | 195.028 |
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| SMILES | O=C(O)c1c[nH]c2c(=O)[nH]c(=O)[nH]c12 |
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| InChI Key | ZNMXZZADYMVRTB-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 | pyrrolopyrimidines |
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| Subclass | pyrrolopyrimidines |
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| Direct Parent | pyrrolopyrimidines |
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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 carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonespyrrole carboxylic acidsvinylogous amides |
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| Substituents | lactamcarboxylic acidpyrrole-3-carboxylic acid or derivativespyrimidonecarboxylic acid derivativepyrimidinepyrrolopyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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