| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:23 UTC |
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| Update Date | 2025-03-21 18:38:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118579 |
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| Frequency | 22.0 |
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| Structure | |
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| Chemical Formula | C11H9NO2 |
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| Molecular Mass | 187.0633 |
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| SMILES | O=C(O)Cc1cncc2ccccc12 |
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| InChI Key | ZGDYWQBWFDTHJW-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carbonyl groupcarboxylic acidazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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