| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:17 UTC |
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| Update Date | 2025-03-21 18:04:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048807 |
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| Frequency | 67.8 |
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| Structure | |
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| Chemical Formula | C11H9NO4 |
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| Molecular Mass | 219.0532 |
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| SMILES | COc1cc2c(C(=O)O)ccnc2cc1O |
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| InChI Key | ITRGVXJLQWWVCV-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 | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids2-halopyridinesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acids |
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| Substituents | pyridine carboxylic acid or derivativesphenol etherethercarboxylic acidpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidquinoline-4-carboxylic acidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundanisolepyridine carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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