| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:41 UTC |
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| Update Date | 2025-03-25 00:59:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239372 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10N2O |
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| Molecular Mass | 198.0793 |
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| SMILES | Cn1ccc2c(ccc3[nH]ccc32)c1=O |
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| InChI Key | BQSRWQVNMRESJY-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 | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindoleslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivativespyridinonespyrroles |
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| Substituents | lactamazacycleindolepolyhalopyridineheteroaromatic compoundindole or derivativesorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneorganooxygen compound |
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