| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:10 UTC |
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| Update Date | 2025-03-25 00:50:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183408 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8N2O8 |
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| Molecular Mass | 272.0281 |
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| SMILES | O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(=O)C(O)C1O |
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| InChI Key | MGIIBFFQXZBSOE-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 | 1,2-diolsazacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidepyrimidonecarboxylic acid derivativelactonesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundpyrimidine-6-carboxylic acid1,2-diolalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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