| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:01 UTC |
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| Update Date | 2025-03-25 00:51:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187670 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO2 |
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| Molecular Mass | 215.0946 |
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| SMILES | CC(C)C(=O)c1ccc2cccc(O)c2n1 |
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| InChI Key | BFPIREPBGOMVQT-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 | 8-hydroxyquinolines |
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| Direct Parent | 8-hydroxyquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridinesaryl alkyl ketonesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | aryl alkyl ketonepolyhalopyridine1-hydroxy-2-unsubstituted benzenoidketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridine8-hydroxyquinolineazacycleheteroaromatic compoundhydroxypyridinemethylpyridine1-hydroxy-4-unsubstituted benzenoidpyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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