| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:14 UTC |
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| Update Date | 2025-03-25 00:50:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183570 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H8N2O3 |
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| Molecular Mass | 228.0535 |
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| SMILES | O=C(O)c1cc2c(ccc3[nH]ccc32)[nH]c1=O |
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| InChI Key | QKILQAJPTRFWNH-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 derivativeshydroquinolineshydroquinoloneshydroxypyridinesindoleslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-3-carboxylic acidspyridinonespyrrolespyrrolo[4,3,2-de]quinolinesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativeslactamcarboxylic acidindolepyridine-3-carboxylic acidpolyhalopyridinecarboxylic acid derivativequinoline-3-carboxylic acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amidepyrroloquinolineazacycleheteroaromatic compoundhydroxypyridinedihydroquinolineindole or derivativesmonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compoundpyrrolepyridine carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinonepyrrolo[4,3,2-de]quinolineorganooxygen compound |
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