| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:47 UTC |
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| Update Date | 2025-03-25 00:59:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235126 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N4O5 |
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| Molecular Mass | 306.0964 |
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| SMILES | O=c1[nH]c(=O)c2c(=O)c(CNC3C=CC(O)C3O)c[nH]c2[nH]1 |
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| InChI Key | LAZPEOGQDADBME-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 | pyrido[2,3-d]pyrimidines |
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| Direct Parent | pyrido[2,3-d]pyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols2-halopyridinesazacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspolyhalopyridinespyrimidonessecondary alcoholsvinylogous amides |
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| Substituents | lactampolyhalopyridinepyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridine1,2-diolalcoholvinylogous amidesecondary aliphatic aminecarbonic acid derivativeazacycleheteroaromatic compoundhydroxypyridinesecondary aminepyridineorganic oxygen compoundpyrido[2,3-d]pyrimidinesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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