| 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 | DMID02183409 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O9 |
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| Molecular Mass | 356.0856 |
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| SMILES | O=C(O)c1cc(=O)c2c(n1C1OC(CO)C(O)C1O)NCC2C(=O)O |
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| InChI Key | ZTCNNLTUISQZHR-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 | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | 5-alkyl-2-carboxypyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholssecondary alcoholssecondary alkylarylaminestetrahydrofuransvinylogous amides |
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| Substituents | 5-alkyl-2-carboxypyrimidinecarbonyl groupcarboxylic acidamino acid or derivativesamino acidpolyhalopyridinemonosaccharidecarboxylic acid derivativesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineprimary alcoholalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinesecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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