| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:04 UTC |
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| Update Date | 2025-03-25 00:49:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176352 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N3O |
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| Molecular Mass | 231.1372 |
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| SMILES | NCCCCNc1cccc2ccc(O)nc12 |
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| InChI Key | BCYSJZOZJOAHCW-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 | quinolones and derivatives |
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| Direct Parent | quinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessecondary alkylarylamines |
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| Substituents | quinoloneazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinesecondary aminesecondary aliphatic/aromatic aminepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amine2-halopyridineorganic nitrogen compoundamineorganooxygen compound |
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