| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:37 UTC |
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| Update Date | 2025-03-25 00:53:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200382 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O2 |
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| Molecular Mass | 218.1055 |
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| SMILES | Cc1ncc(Cc2ccco2)c(CN)c1O |
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| InChI Key | CJWLYLXNUHRXGA-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 heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsfuransheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | furanaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridineoxacycleorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine2-halopyridineorganic nitrogen compoundorganooxygen compound |
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