| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:48 UTC |
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| Update Date | 2025-03-25 00:59:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237397 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N2O4+ |
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| Molecular Mass | 277.1183 |
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| SMILES | Nc1cccc2c1ccc[n+]2C1OC(CO)C(O)C1O |
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| InChI Key | HRNRPSKLIWEXHM-UHFFFAOYSA-O |
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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 derivativeshydroxypyridinesmonosaccharidesorganic cationsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholsprimary aminessecondary alcoholstetrahydrofurans |
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| Substituents | polyhalopyridinemonosaccharidesaccharidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineorganic cationprimary alcoholalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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