| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:27 UTC |
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| Update Date | 2025-03-25 00:50:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179519 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO4 |
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| Molecular Mass | 247.0845 |
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| SMILES | COc1ccc2c(ccc(=O)n2CCC(=O)O)c1 |
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| InChI Key | OSAFWOBLACCLSX-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 | quinolones and derivatives |
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| Direct Parent | hydroquinolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroxypyridineslactamsmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinones |
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| Substituents | phenol ethercarbonyl groupetherlactamcarboxylic acidpolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinemethylpyridinemonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneorganooxygen compound |
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