| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:42 UTC |
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| Update Date | 2025-03-21 18:33:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094879 |
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| Frequency | 36.1 |
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| Structure | |
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| Chemical Formula | C15H16N2O3 |
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| Molecular Mass | 272.1161 |
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| SMILES | COc1ccc2nccc(C(O)C3CCC(=O)N3)c2c1 |
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| InChI Key | NFPSXUYQGYVWGS-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 compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrrolidine-2-onessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | aromatic alcohol2-pyrrolidonephenol ethercarbonyl groupetherlactampolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinepyrrolidinepyrrolidonealcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridine4-quinolinemethanolcarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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