| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:46 UTC |
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| Update Date | 2025-03-21 18:30:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083230 |
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| Frequency | 34.6 |
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| Structure | |
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| Chemical Formula | C9H10N2O7 |
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| Molecular Mass | 258.0488 |
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| SMILES | O=C(O)c1cc(=O)[nH]c(=O)n1C1OCC(O)C1O |
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| InChI Key | XHGYGAYZIRHEAQ-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 compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidepyrimidonecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundpyrimidine-6-carboxylic acid1,2-diolalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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