| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:33 UTC |
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| Update Date | 2025-03-21 18:29:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080345 |
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| Frequency | 43.6 |
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| Structure | |
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| Chemical Formula | C10H7NO3 |
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| Molecular Mass | 189.0426 |
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| SMILES | O=C(O)c1c[nH]c(=O)c2ccccc12 |
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| InChI Key | IMEDZEDITFIMAK-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 compoundsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-3-carboxylic acidspyridinonesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativeslactamcarboxylic acidpyridine-3-carboxylic acidpolyhalopyridinecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinolone1-carboxy-2-haloaromatic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyridine carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneorganooxygen compound |
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