| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:00 UTC |
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| Update Date | 2025-03-21 17:58:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017553 |
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| Frequency | 239.6 |
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| Structure | |
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| Chemical Formula | C6H6N2O4 |
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| Molecular Mass | 170.0328 |
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| SMILES | O=C(O)Cc1cc(=O)[nH]c(=O)[nH]1 |
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| InChI Key | NQAUNZZEYKWTHM-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 | pyrimidones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupcarbonic acid derivativelactamcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidonecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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