| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:31 UTC |
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| Update Date | 2025-03-25 00:56:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218734 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6N4O5 |
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| Molecular Mass | 238.0338 |
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| SMILES | Cn1c(=O)[nH]c2nc(C(=O)O)cc(=O)n2c1=O |
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| InChI Key | RQVXUHDGXYHQMF-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 | azacyclic compoundscarboxylic acidshalo-s-triazinesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonestriazinonesureas |
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| Substituents | lactamcarboxylic acidpyrimidonecarboxylic acid derivativeureaorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrimidine-6-carboxylic acidcarbonic acid derivativeazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhalo-s-triazinetriazinehydrocarbon derivative1,3,5-triazineorganic nitrogen compoundtriazinoneorganooxygen compound |
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