| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:24 UTC |
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| Update Date | 2025-03-25 00:59:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236496 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2OS |
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| Molecular Mass | 234.0827 |
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| SMILES | CSCCNc1ccc2cc(O)ccc2n1 |
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| InChI Key | ZRMSHAWZJOHNNW-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 | hydroxyquinolines |
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| Direct Parent | hydroxyquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesazacyclic compoundsbenzenoidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmethylpyridinesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessecondary alkylarylaminessulfenyl compounds |
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| Substituents | polyhalopyridine1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactamsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundhydroxypyridinemethylpyridinesecondary aminesecondary aliphatic/aromatic aminehydroxyquinolinepyridineorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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