| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:45 UTC |
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| Update Date | 2025-03-21 18:04:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052235 |
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| Frequency | 62.3 |
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| Structure | |
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| Chemical Formula | C11H9NO3 |
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| Molecular Mass | 203.0582 |
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| SMILES | COc1ccc2c(C(=O)O)ccnc2c1 |
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| InChI Key | XBJMZHNQXKLXFW-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 ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic 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 compoundanisolepyridine carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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