| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:16 UTC |
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| Update Date | 2025-03-25 00:59:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238443 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O9 |
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| Molecular Mass | 344.0856 |
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| SMILES | O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(CO)C2C(O)C(CO)OC21 |
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| InChI Key | PRRWVADOGHYMCP-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsdialkyl ethersfurofuransheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | etherlactamcarboxylic acidmonosaccharidepyrimidonecarboxylic acid derivativedialkyl ethersaccharideorganic oxidearomatic heteropolycyclic compoundfurofuranorganonitrogen compoundorganopnictogen compoundprimary alcoholpyrimidine-6-carboxylic acidalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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