| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:23 UTC |
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| Update Date | 2025-03-25 00:46:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156678 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO2 |
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| Molecular Mass | 227.0946 |
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| SMILES | O=C1CCC(Cc2ccc3ncccc3c2)O1 |
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| InChI Key | LJYBGPJMWRXTPE-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-halopyridinesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyridines and derivativestetrahydrofurans |
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| Substituents | carbonyl grouppolyhalopyridinecarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineazacycletetrahydrofuranheteroaromatic compoundgamma butyrolactoneoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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