| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:47 UTC |
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| Update Date | 2025-03-25 00:53:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200792 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17N3O3S |
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| Molecular Mass | 331.0991 |
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| SMILES | COc1ccc2nccc(C(O)C3SCC4NC(=O)NC43)c2c1 |
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| InChI Key | FTTUICKBISDTRU-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 | 4-quinolinemethanols |
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| Direct Parent | 4-quinolinemethanols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundscarbonyl compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolidinonesmethylpyridinesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcoholsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | aromatic alcoholthiolaneimidazolidinephenol ethercarbonyl groupetherpolyhalopyridinealkyl aryl etherthiopheneimidazolidinoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinealcoholcarbonic acid derivativeazacycledialkylthioetherheteroaromatic compoundhydroxypyridinemethylpyridine4-quinolinemethanolthienoimidazolidinepyridineorganic oxygen compoundthioetheranisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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