| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:33 UTC |
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| Update Date | 2025-03-25 00:50:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179752 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO4 |
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| Molecular Mass | 233.0688 |
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| SMILES | COc1ccc2c(C(=O)O)cn(C)c(=O)c2c1 |
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| InChI Key | WFQULDKCNPUNEG-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 | isoquinolines and derivatives |
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| Subclass | isoquinolones and derivatives |
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| Direct Parent | isoquinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridine-3-carboxylic acidspyridinonesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativesphenol etheretherlactamcarboxylic acidpyridine-3-carboxylic acidpolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinolone1-carboxy-2-haloaromatic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundanisolepyridine carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneorganooxygen compound |
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