| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:54 UTC |
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| Update Date | 2025-03-25 01:01:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251463 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O5 |
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| Molecular Mass | 280.1059 |
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| SMILES | OCC1OC(c2cc3ncccc3[nH]2)C(O)C(O)C1O |
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| InChI Key | QTTUVLOGMOZVKT-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 | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrrolessecondary alcohols |
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| Substituents | etherpolyhalopyridinemonosaccharidedialkyl ethersaccharidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineoxaneprimary alcoholalcoholazacycleheteroaromatic compoundhydroxypyridineoxacycleorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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