| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:01 UTC |
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| Update Date | 2025-03-21 18:02:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040955 |
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| Frequency | 84.1 |
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| Structure | |
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| Chemical Formula | C10H7NO2 |
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| Molecular Mass | 173.0477 |
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| SMILES | O=C(O)c1cc2ccccc2cn1 |
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| InChI Key | KVMMIDQDXZOPAB-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 | isoquinolines and derivatives |
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| Direct Parent | isoquinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acids |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyridine-2-carboxylic acidpyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundpyridine carboxylic acidisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compound |
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