| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:14 UTC |
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| Update Date | 2025-03-21 17:58:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00015918 |
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| Frequency | 270.7 |
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| Structure | |
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| Chemical Formula | C11H14N2O9 |
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| Molecular Mass | 318.0699 |
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| SMILES | O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(CO)C(O)C(O)C1O |
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| InChI Key | BVPUHLVYWDUJNJ-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 compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrimidonessecondary alcoholsvinylogous amides |
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| Substituents | lactamcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidepyrimidonecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholpyrimidine-6-carboxylic acidalcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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