| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:21 UTC |
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| Update Date | 2025-03-25 00:56:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220696 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8N2O6 |
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| Molecular Mass | 228.0382 |
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| SMILES | O=C(O)CCOC(=O)c1cc(=O)[nH]c(=O)[nH]1 |
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| InChI Key | KGPAWEJXANGCLA-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupcarbonic acid derivativelactamcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidonecarboxylic acid derivativeorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrimidine-6-carboxylic acidorganooxygen compound |
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