| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:39 UTC |
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| Update Date | 2025-03-25 01:01:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250878 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9N3O3S |
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| Molecular Mass | 251.0365 |
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| SMILES | O=C(O)CCSc1nc2cccnc2c(=O)[nH]1 |
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| InChI Key | QSXGLSAKXDRAIW-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-halopyridinesalkylarylthioethersazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrimidonessulfenyl compounds |
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| Substituents | carbonyl grouplactamcarboxylic acidpolyhalopyridinepyrimidonealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compound2-halopyridinesulfenyl compoundazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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