| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:23 UTC |
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| Update Date | 2025-03-25 00:47:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158848 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H12N2O |
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| Molecular Mass | 236.095 |
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| SMILES | Oc1ccc(Nc2ccccc2)c2cccnc12 |
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| InChI Key | VCWFGMRKMRNTRB-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 benzenoids2-halopyridinesazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessecondary amines |
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| Substituents | monocyclic benzene moiety8-hydroxyquinolineazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridine1-hydroxy-2-unsubstituted benzenoidsecondary aminepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compoundamine |
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