| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:01 UTC |
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| Update Date | 2025-03-25 00:59:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237856 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N4O8 |
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| Molecular Mass | 354.0812 |
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| SMILES | Nc1nc2c(OC3OC(CO)C(O)C3O)cc(C(=O)O)nc2c(=O)[nH]1 |
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| InChI Key | GOOKGTUXOAKQSO-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 | pyridopyrimidines |
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| Subclass | pyridopyrimidines |
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| Direct Parent | pyridopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesacetalsamino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholsprimary aminespyridine-2-carboxylic acidspyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | pyridine carboxylic acid or derivativeslactamcarboxylic acidamino acid or derivativesamino acidpolyhalopyridinemonosaccharidepyrimidonecarboxylic acid derivativepyrimidinesaccharideorganic oxidepyridine-2-carboxylic acidacetalaromatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compound2-halopyridineprimary alcoholalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyridine carboxylic acidsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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