| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:31 UTC |
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| Update Date | 2025-03-25 00:50:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181989 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16NO3+ |
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| Molecular Mass | 234.1125 |
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| SMILES | OCC(O)C(O)C[n+]1cccc2ccccc21 |
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| InChI Key | LWCLBMPUKPAXAA-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 | 2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic cationsorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesprimary alcoholssecondary alcohols |
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| Substituents | alcoholazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundquinolinesecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganic cationprimary alcoholorganooxygen compound |
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