| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:48 UTC |
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| Update Date | 2025-03-21 18:36:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112296 |
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| Frequency | 23.6 |
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| Structure | |
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| Chemical Formula | C8H12N2O2 |
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| Molecular Mass | 168.0899 |
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| SMILES | CNCC(O)c1ccc(O)nc1 |
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| InChI Key | PBRVHIIVHJTECN-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-halopyridinesaromatic alcoholsazacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholsecondary aliphatic aminearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridinesecondary amineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compoundamine |
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