| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:49 UTC |
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| Update Date | 2025-03-25 00:58:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232868 |
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| Frequency | 0.5 |
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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 | CC=C1NC(=O)c2ccccc2C1=O |
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| InChI Key | IRUZINOVJBDBDU-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 | 1,4-isoquinolinediones |
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| Direct Parent | 1,4-isoquinolinediones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl ketonesazacyclic compoundsbenzenoidscarboxylic acids and derivativeshydrocarbon derivativesisoquinolones and derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssecondary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | lactamazacyclecarboxamide groupcarboxylic acid derivativeketonesecondary carboxylic acid amideorganic oxide2,3-dihydroisoquinoline-1,4-dioneorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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