| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:33 UTC |
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| Update Date | 2025-03-25 00:50:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179748 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO5 |
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| Molecular Mass | 275.0794 |
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| SMILES | COc1ccc2c(C(CC(=O)O)C(=O)O)ccnc2c1 |
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| InChI Key | YDDJMFGFWJHWDC-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 acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidpolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinemethylpyridinepyridineorganic oxygen compoundanisoledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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