| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:45:00 UTC |
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| Update Date | 2025-03-21 18:49:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00169363 |
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| Frequency | 27.5 |
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| Structure | |
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| Chemical Formula | C12H11NO3 |
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| Molecular Mass | 217.0739 |
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| SMILES | Cc1cc2cc(C(=O)O)c(O)nc2cc1C |
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| InChI Key | LKQPKAVDWKLXKT-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 | quinoline carboxylic acids |
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| Direct Parent | quinoline carboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-3-carboxylic acidsquinolones and derivativesvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidpyridine-3-carboxylic acidpolyhalopyridinecarboxylic acid derivativequinoline-3-carboxylic acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinequinoloneazacycleheteroaromatic compoundhydroxypyridinemethylpyridinevinylogous acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundpyridine carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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