| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:41 UTC |
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| Update Date | 2025-03-21 18:41:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133372 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C9H9N3O4 |
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| Molecular Mass | 223.0593 |
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| SMILES | Cn1c(=O)c2[nH]c(C(=O)O)cc2n(C)c1=O |
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| InChI Key | XYTGTGHJSYOGRG-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 | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidinecarboxylic acidspyrimidonespyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativesureasvinylogous amides |
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| Substituents | lactamcarboxylic acidpyrimidonecarboxylic acid derivativepyrimidineureapyrrolopyrimidineorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrimidine-6-carboxylic acidvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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