| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:50 UTC |
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| Update Date | 2025-03-25 00:46:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153073 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H8N2O2 |
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| Molecular Mass | 188.0586 |
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| SMILES | NC(=O)c1c(O)ccc2ccncc12 |
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| InChI Key | MTUWKIJWWNHAKY-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 | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidessalicylic acid and derivativesvinylogous acids |
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| Substituents | primary carboxylic acid amideazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridine1-hydroxy-2-unsubstituted benzenoidcarboxamide groupcarboxylic acid derivativevinylogous acidorganic oxidepyridineorganic oxygen compoundsalicylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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