| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:44 UTC |
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| Update Date | 2025-03-25 01:00:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241791 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16NO2+ |
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| Molecular Mass | 218.1176 |
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| SMILES | CC(O)C(O)c1ccc2ccccc2[n+]1C |
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| InChI Key | XJGNTGHLKSVPDJ-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 | quinolines and derivatives |
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| Subclass | quinolines and derivatives |
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| Direct Parent | quinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols2-halopyridinesaromatic alcoholsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic cationsorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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| Substituents | aromatic alcoholalcoholazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridinepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundquinolinesecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganic cationorganooxygen compound1,2-diol |
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