| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:28 UTC |
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| Update Date | 2025-03-21 18:05:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056155 |
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| Frequency | 114.5 |
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| Structure | |
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| Chemical Formula | C7H6N4O4 |
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| Molecular Mass | 210.0389 |
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| SMILES | Cn1c(=O)[nH]c(=O)c2[nH]c(C(=O)O)nc21 |
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| InChI Key | MLYBHNJSBBBPNE-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 | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | purinones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonesvinylogous amides |
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| Substituents | lactamcarboxylic acidpyrimidonecarboxylic acid derivativepurinonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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