| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:45 UTC |
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| Update Date | 2025-03-25 00:53:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200720 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14N2O2 |
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| Molecular Mass | 242.1055 |
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| SMILES | COc1ccc2ccc(C3CCC(=O)N3)nc2c1 |
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| InChI Key | XTNKXHJVUADWPR-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 | quinolines and derivatives |
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| Direct Parent | quinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonephenol ethercarbonyl groupetherlactampolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridinepyrrolidinepyrrolidoneazacycleheteroaromatic compoundmethylpyridinecarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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