| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:27 UTC |
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| Update Date | 2025-03-25 01:01:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250450 |
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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(c2ccnc3ccccc23)CO1 |
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| InChI Key | JXJSBLUQESHFIA-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 estersdelta valerolactonesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyridines and derivatives |
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| Substituents | carbonyl grouppolyhalopyridinedelta valerolactonecarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineoxanedelta_valerolactoneazacycleheteroaromatic compoundoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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