| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:18 UTC |
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| Update Date | 2025-03-25 00:57:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227258 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO3 |
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| Molecular Mass | 231.0895 |
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| SMILES | CC(C)Oc1ccc2nccc(C(=O)O)c2c1 |
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| InChI Key | ZHAGJGITBDZFSE-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 compounds2-halopyridinesalkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol etherspolyhalopyridinespyridinecarboxylic acids |
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| Substituents | pyridine carboxylic acid or derivativesphenol etherethercarboxylic acidpolyhalopyridinequinoline-4-carboxylic acidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyridine carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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