| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:14 UTC |
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| Update Date | 2025-03-25 00:49:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176740 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H13NO2 |
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| Molecular Mass | 263.0946 |
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| SMILES | O=C(OCc1ccccc1)c1ccnc2ccccc12 |
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| InChI Key | PKFYPSSKNZTYLA-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 compoundsbenzyloxycarbonylscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acids |
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| Substituents | benzyloxycarbonylpyridine carboxylic acid or derivativesmonocyclic benzene moietyazacyclepolyhalopyridineheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterorganonitrogen compoundquinolinepyridine carboxylic acidorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compound |
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