| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:10 UTC |
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| Update Date | 2025-03-25 00:45:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151522 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H11NO2 |
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| Molecular Mass | 261.079 |
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| SMILES | Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 |
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| InChI Key | JUNQOARPKFNFHS-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 | 2-halopyridinesaryl ketonesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivativespyridinonesvinylogous amides |
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| Substituents | vinylogous amidelactamazacyclepolyhalopyridineheteroaromatic compoundketoneorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundpyridinoneorganooxygen compoundaryl ketone |
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