| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:37 UTC |
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| Update Date | 2025-03-21 18:34:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099550 |
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| Frequency | 27.6 |
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| Structure | |
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| Chemical Formula | C8H8N4O4 |
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| Molecular Mass | 224.0546 |
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| SMILES | Nc1nc(=O)c2c([nH]1)C(CC(=O)O)C(O)=N2 |
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| InChI Key | PPUZISDDRATZAU-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscyclic carboximidic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidonespyrrolesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidpyrimidonecarboxylic acid derivativepyrimidinepropargyl-type 1,3-dipolar organic compoundpyrrolopyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amideazacycleheteroaromatic compoundorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeprimary amineorganic nitrogen compoundcyclic carboximidic acidamineorganooxygen compound |
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